A0A087XNN5_POEFO Loading...

Ectonucleotide pyrophosphatase/phosphodiesterase 2

AlphaFold DB , UniProt , Accession A0A087XNN5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 865 aa.

						>A0A087XNN5_POEFO|A0A087XNN5
MLLQKLCVWMLSVLCSSDLCWGFVFGRPKRSGEDGAATRTEFRSGSHYVSTSGSCRNRCYELVEAEPPNCRCDNLCKTYNSCCSDFNQLCLRTDGGYECSRDRCGETRSEQHACHCSDDCLARGDCCTNYRKLCRGDTSWLQDECEEIRSPECPAGFARPPLIILSVDGFRASYVKRGSSIIPNIEKLRTCGTHAPYMRPVYPSKTFPNLYSIATGLYPESHGIIGNSMYDPTFDATFNLRSREKLSHRWWGGQPIWITALRQGLKAATFFWPVAIPLERRILTLLQWLHLPEGERPYVYAMHSEQPDTYGHKVGPMSADLNNPLRAIDRIVGQLMDGLKQMKLHRCVNIILVGDHGMEEAHCDRTEFLSNYLTNVDDIILIPGSLGRIRSRYPSNPKYDPKAVVANLTCKKAEQHFKPYLKQHLPKRLHYANNRRIEDIHLLVERKWHVARKVPEGRRHCGFSGDHGYDNKINSMQTIFLGYGPTFKFKTKVPAFENIELYNVMCDLLGLKPAPNNGTHGSLNHLLRSPTFRPTMPEEVSRPMASNLVPMATDDLGCNCDEKVSAERLKVKRDFLFSLTNKVEELNRRLRQAIDDSRNLPYGRPAVLFRAKYTILHHSDYISSYSETLFMPLWTSYTVSRQVELSPLPESLSNCVRPDARVPPAFSQSCSNYRAERHVTYAFLYPPQLSSNLEKKYDAVLITNTVPMYPAFKRIWTYFQRALVKKYATERNGVNLLVGPVFDYNYDGVRDSAETIRDHVSGAVPVPSHYFVVLTSCLDFTQPADSCNGPLSSAAFILPHRPNNDETCNSSEDESRWVEDLMKMHTARVRDVELLTGLDLYRRTSRSYSEILSLKTYMHTYESEI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	28.5	Very low	242 Å²	242	183.5 Å²	183.5	100%	1.192	92%	0.919	S	S	*	*				0	89.3	0	-76.1	165.8	66.8	0	0	108.4
2	L	30.8	Very low	28.4	Very low	164 Å²	164	178.3 Å²	178.3	86%	0.859	91%	0.912	S	S	*	*			trans	-74.3	163.1	168.2	-84.9	82	0	0	0	109.4
3	L	27	Very low	28.5	Very low	174 Å²	174	175.3 Å²	175.3	91%	0.911	91%	0.907	S	S	*	*			trans	94.2	46.6	174.2	-71.3	124.3	0	0	0	118.6
4	Q	27.6	Very low	28.3	Very low	196 Å²	196	174.4 Å²	174.4	92%	0.916	90%	0.903	S	S	*	*	S	Bend	trans	-147.4	32.1	160.6	-134.2	170.8	2.2	0	0	115.3
5	K	29.4	Very low	28.2	Very low	207 Å²	207	171.4 Å²	171.4	90%	0.9	90%	0.902	S	S	*	*	S	Bend	trans	-135.7	27.3	178.5	-86.2	-166.1	176.1	-176.5	0	115.5
6	L	28.3	Very low	27.8	Very low	163 Å²	163	167.3 Å²	167.3	85%	0.853	89%	0.892	S	S	*	*	S	Bend	trans	-137.5	12.1	-175.7	-115.6	116.9	0	0	0	118.6
7	C	26.8	Very low	27.7	Very low	129 Å²	129	164.1 Å²	164.1	87%	0.872	89%	0.886	S	S	*	*	S	Bend	trans	-129.5	33.4	-177.8	-84.9	0	0	0	0	116.5
8	V	28.7	Very low	27.5	Very low	144 Å²	144	162.8 Å²	162.8	87%	0.873	88%	0.878	S	S	*	*	S	Bend	trans	-136.5	55.2	162.9	-164.7	0	0	0	0	109.8
9	W	26.7	Very low	27.5	Very low	244 Å²	244	162.3 Å²	162.3	92%	0.924	87%	0.874	S	S	*	*	S	Bend	trans	-127.9	21.8	178	-121.6	71.9	0	0	0	113.3
10	M	27.7	Very low	27.2	Very low	175 Å²	175	160.8 Å²	160.8	86%	0.862	88%	0.875	S	S	*	*	S	Bend	trans	-146	35.8	-173.1	-88.5	-67	-85.3	0	0	114.7
11	L	25.9	Very low	27	Very low	181 Å²	181	163.2 Å²	163.2	95%	0.948	87%	0.872	S	S	*	*	S	Bend	trans	-162.4	43.1	172.3	-109.6	145.7	0	0	0	116.6
12	S	26.7	Very low	26.4	Very low	120 Å²	120	155.3 Å²	155.3	84%	0.839	85%	0.852	S	S	*	*			trans	-137.1	18.9	161.7	59.4	0	0	0	0	113.8	L14	S12-L14 PolarHBondContact O-N 3.44Å
13	V	29.8	Very low	26	Very low	140 Å²	140	156 Å²	156	85%	0.848	85%	0.849	S	S	*	*			trans	-80	90.6	159.4	179.2	0	0	0	0	106.3
14	L	25.5	Very low	25.9	Very low	162 Å²	162	154.4 Å²	154.4	85%	0.848	85%	0.846	S	S	*	*	S	Bend	trans	169.7	126.1	153.5	-89.5	155.8	0	0	0	108.1	S12	S12-L14 PolarHBondContact O-N 3.44Å
15	C	27	Very low	25.7	Very low	130 Å²	130	154.7 Å²	154.7	88%	0.878	84%	0.844	S	S	*	*			trans	75.6	90.8	-179.2	-68.3	0	0	0	0	117.8
16	S	22.1	Very low	25.5	Very low	106 Å²	106	147.8 Å²	147.8	74%	0.741	83%	0.832	S	S	*	*			trans	-152.6	80.1	141.7	63.5	0	0	0	0	109.8	D18	S16-D18 PolarHBondContact O-N 2.85Å
17	S	26.6	Very low	25.4	Very low	113 Å²	113	151.6 Å²	151.6	79%	0.79	84%	0.835	S	S	*	*			trans	-82.5	88.3	156.9	50.9	0	0	0	0	107.5
18	D	24.4	Very low	25.2	Very low	141 Å²	141	150.9 Å²	150.9	75%	0.754	83%	0.828	S	S	*	*			trans	-112.1	106	173.8	-82.2	-40.9	0	0	0	110.9	S16 C20	S16-D18 PolarHBondContact O-N 2.85Å; D18-C20 PolarHBondContact O-N 2.91Å
19	L	26.7	Very low	25.1	Very low	153 Å²	153	154.1 Å²	154.1	80%	0.801	83%	0.831	S	S	*	*			trans	-51.8	111.9	159.9	-80.3	109	0	0	0	109	W21	L19-W21 PolarHBondContact O-N 3.42Å; L19-W21 VanDerWaalsContact O-N 3.16Å
20	C	21.8	Very low	25.1	Very low	132 Å²	132	154.4 Å²	154.4	89%	0.892	83%	0.832	S	S	*	*			trans	-74.8	105.2	170.1	-102.1	0	0	0	0	110.1	D18 G22	D18-C20 PolarHBondContact O-N 2.91Å; C20-G22 PolarHBondContact O-N 3.39Å
21	W	23.4	Very low	25.1	Very low	212 Å²	212	151.8 Å²	151.8	80%	0.803	83%	0.831	S	S	*	*			trans	-65	122.1	167	-76.8	56.2	0	0	0	109.9	L19 F23	L19-W21 PolarHBondContact O-N 3.42Å; L19-W21 VanDerWaalsContact O-N 3.16Å; W21-F23 HydrophobicContact CB-CE2 4.41Å; W21-F23 PolarHBondContact O-N 3.26Å; W21-F23 VanDerWaalsContact O-N 3.1Å
22	G	22.3	Very low	25.3	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	82%	0.822	S	S	*	*			trans	-70.9	100	169.6	0	0	0	0	0	110.4	C20 V24	C20-G22 PolarHBondContact O-N 3.39Å; G22-V24 PolarHBondContact O-N 3.03Å
23	F	22.8	Very low	25.3	Very low	179 Å²	179	150.6 Å²	150.6	79%	0.785	83%	0.827	S	S	*	*			trans	-70.1	120.1	171.7	-81	-87.3	0	0	0	110.8	W21	W21-F23 HydrophobicContact CB-CE2 4.41Å; W21-F23 PolarHBondContact O-N 3.26Å; W21-F23 VanDerWaalsContact O-N 3.1Å
24	V	24.2	Very low	25.2	Very low	140 Å²	140	152.5 Å²	152.5	85%	0.848	83%	0.832	S	S	*	*			trans	-80.6	113.1	164.5	177.3	0	0	0	0	107.4	G22 G26	G22-V24 PolarHBondContact O-N 3.03Å; V24-G26 PolarHBondContact O-N 3.5Å
25	F	23.4	Very low	25.2	Very low	202 Å²	202	148.1 Å²	148.1	89%	0.886	83%	0.827	S	S	*	*			trans	-64.7	103.2	172.7	-89.4	-86.3	0	0	0	110.4
26	G	25.8	Very low	25.5	Very low	62 Å²	62	147.5 Å²	147.5	64%	0.639	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-71.9	140.2	156.8	0	0	0	0	0	110	V24	V24-G26 PolarHBondContact O-N 3.5Å
27	R	24.4	Very low	25.7	Very low	243 Å²	243	146.8 Å²	146.8	92%	0.917	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.5	137.2	-178.6	-155.8	-176.4	-168.5	-171.9	2.5	110.8
28	P	24.1	Very low	25.6	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-71.9	134.4	160.7	-1.8	17.5	0	0	0	109.3	R30	P28-R30 PolarHBondContact O-N 3.08Å
29	K	25.8	Very low	25.7	Very low	213 Å²	213	153 Å²	153	93%	0.926	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-62	122.5	168.8	-84.7	179.6	173.6	178.3	0	108.8
30	R	26.3	Very low	25.7	Very low	250 Å²	250	151.4 Å²	151.4	94%	0.943	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-90.6	126.6	160.1	-97.3	-176.6	174.4	174.8	-2.1	107.9	P28	P28-R30 PolarHBondContact O-N 3.08Å
31	S	27.8	Very low	26	Very low	120 Å²	120	153.4 Å²	153.4	84%	0.839	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-75	139.4	170.3	48.2	0	0	0	0	110.9
32	G	30.3	Very low	26.1	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	84%	0.837	S	S	*	*			trans	97.8	94.6	159.9	0	0	0	0	0	115.7
33	E	26.1	Very low	26.6	Very low	201 Å²	201	160.4 Å²	160.4	94%	0.939	84%	0.844	S	S	*	*			trans	-170.4	93.3	140.2	-107.8	172.6	-174.3	0	0	107.7
34	D	28.3	Very low	27.1	Very low	180 Å²	180	157.3 Å²	157.3	96%	0.963	84%	0.844	S	S	*	*			trans	-72.6	120.5	163.6	-79.8	-43.2	0	0	0	108.2
35	G	26.3	Very low	27.6	Very low	71 Å²	71	153.6 Å²	153.6	73%	0.732	83%	0.834	S	S	*	*			trans	-164.5	98.1	175.6	0	0	0	0	0	109.5	A37	G35-A37 PolarHBondContact O-N 3.03Å; G35-A37 VanDerWaalsContact O-N 3.12Å
36	A	32.4	Very low	28.5	Very low	117 Å²	117	149.1 Å²	149.1	97%	0.967	83%	0.828	S	S	*	*			trans	-59.8	110.6	-178.6	0	0	0	0	0	111.4
37	A	27.1	Very low	29.8	Very low	90 Å²	90	153.3 Å²	153.3	74%	0.744	83%	0.831	S	S	*	*			trans	-118.9	115.3	162.3	0	0	0	0	0	108.2	G35 R39	G35-A37 PolarHBondContact O-N 3.03Å; G35-A37 VanDerWaalsContact O-N 3.12Å; A37-R39 PolarHBondContact O-N 3.11Å
38	T	24.7	Very low	31.8	Very low	141 Å²	141	150.7 Å²	150.7	87%	0.865	82%	0.822	S	S	*	*			trans	-43.2	117.3	178	28.3	0	0	0	0	112.8	T40	T38-T40 PolarHBondContact O-N 3.13Å; T38-T40 VanDerWaalsContact O-N 3.14Å
39	R	26.3	Very low	34	Very low	244 Å²	244	147 Å²	147	92%	0.921	80%	0.797	S	S	*	*			trans	-64.1	104.1	167	-83.3	177.9	164	177.8	-4.1	109.6	A37 E41	A37-R39 PolarHBondContact O-N 3.11Å; R39-E41 PolarHBondContact O-N 2.03Å
40	T	25.5	Very low	36.3	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	77%	0.765	S	S	*	*			trans	-78.3	105.8	153.5	28.1	0	0	0	0	108.5	T38 F42	T38-T40 PolarHBondContact O-N 3.13Å; T38-T40 VanDerWaalsContact O-N 3.14Å; T40-F42 PolarHBondContact O-N 3.22Å; T40-F42 VanDerWaalsContact O-N 3.15Å
41	E	28.6	Very low	38.9	Very low	174 Å²	174	130.2 Å²	130.2	81%	0.813	74%	0.742	S	S	*	*			trans	-62.9	103.3	168.9	-74.8	-175.9	151.5	0	0	110.2	R39	R39-E41 PolarHBondContact O-N 2.03Å
42	F	26.2	Very low	41.4	Very low	193 Å²	193	129.2 Å²	129.2	85%	0.846	74%	0.735	S	S	*	*			trans	-90.1	109.6	158.8	-88.9	-82.9	0	0	0	109.1	T40 S44	T40-F42 PolarHBondContact O-N 3.22Å; T40-F42 VanDerWaalsContact O-N 3.15Å; F42-S44 PolarHBondContact O-N 2.97Å; F42-S44 VanDerWaalsContact O-N 3.07Å
43	R	32.1	Very low	44.1	Very low	242 Å²	242	127.2 Å²	127.2	91%	0.913	71%	0.714	S	S	*	*			trans	-62.3	101.1	173.5	-77.3	178.3	171.5	-179.9	-3	110.9
44	S	34.3	Very low	47.2	Very low	114 Å²	114	120 Å²	120	80%	0.797	69%	0.686	S	S	*	*			trans	-129.1	98.5	144.7	168.1	0	0	0	0	104.6	F42 S46	F42-S44 PolarHBondContact O-N 2.97Å; F42-S44 VanDerWaalsContact O-N 3.07Å; S44-S46 PolarHBondContact O-N 3.31Å; S44-S46 VanDerWaalsContact O-N 3.13Å
45	G	34.3	Very low	50.4	Low	62 Å²	62	111.4 Å²	111.4	64%	0.639	64%	0.64	S	S	*	*			trans	-60.9	116.5	-173.7	0	0	0	0	0	110.2	H47	G45-H47 PolarHBondContact O-N 3.26Å
46	S	42.5	Very low	53.5	Low	108 Å²	108	116.8 Å²	116.8	76%	0.755	64%	0.638	S	S	*	*			trans	-66.9	103.8	158.7	65.9	0	0	0	0	106.4	S44 Y48	S44-S46 PolarHBondContact O-N 3.31Å; S44-S46 VanDerWaalsContact O-N 3.13Å; S46-Y48 PolarHBondContact O-N 3.15Å; S46-Y48 VanDerWaalsContact O-N 3.11Å
47	H	53.3	Low	56.3	Low	150 Å²	150	119 Å²	119	69%	0.694	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-53.6	120.9	167.8	-69.8	-80	0	0	0	107.8	G45 V49 P67	G45-H47 PolarHBondContact O-N 3.26Å; H47-V49 PolarHBondContact O-N 3.42Å; H47-P67 HydrophobicContact CB-CB 3.9Å; H47-P67 HydrophobicContact CB-CG 4.24Å
48	Y	66.4	Low	59.4	Low	188 Å²	188	118 Å²	118	74%	0.737	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-61.4	119.6	177.3	174.9	-94.2	0	0	0	108.6	S46	S46-Y48 PolarHBondContact O-N 3.15Å; S46-Y48 VanDerWaalsContact O-N 3.11Å
49	V	69.4	Low	62.7	Low	36 Å²	36	113.3 Å²	113.3	22%	0.218	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-102.7	120	174.2	-178.6	0	0	0	0	107.5	H47 T51 P67 N69 C70	H47-V49 PolarHBondContact O-N 3.42Å; V49-T51 PolarHBondContact O-N 2.81Å; V49-P67 HydrophobicContact CG2-CB 4.28Å; V49-P67 HydrophobicContact CG2-CG 4.41Å; V49-N69 WeakPolarHBondContact CG1-O 3.26Å; V49-C70 HydrophobicContact CG1-CB 4.45Å
50	S	74.2	Confident	65.8	Low	34 Å²	34	102 Å²	102	24%	0.238	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-73.2	120.9	175.5	-175.6	0	0	0	0	109.5	S52 P68 C70	S50-S52 PolarHBondContact O-N 3.14Å; S50-S52 PolarHBondContact OG-N 3.35Å; S50-S52 PolarHBondContact OG-OG 2.55Å; S50-P68 PolarHBondContact N-O 3.14Å; S50-C70 VanDerWaalsContact O-CB 3.26Å; S50-C70 WeakPolarHBondContact O-CB 3.39Å
51	T	79.8	Confident	69	Low	77 Å²	77	98.8 Å²	98.8	47%	0.472	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.4	176.5	55.3	0	0	0	0	113.3	V49 G53 S84	V49-T51 PolarHBondContact O-N 2.81Å; T51-G53 VanDerWaalsContact C-N 3.25Å; T51-G53 PolarHBondContact O-N 3.28Å; T51-S84 PolarHBondContact O-N 3.46Å; T51-S84 PolarHBondContact O-OG 3.12Å
52	S	80.3	Confident	71.9	Confident	99 Å²	99	93.7 Å²	93.7	69%	0.692	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.5	-172.3	70.6	0	0	0	0	115.2	S50	S50-S52 PolarHBondContact O-N 3.14Å; S50-S52 PolarHBondContact OG-N 3.35Å; S50-S52 PolarHBondContact OG-OG 2.55Å
53	G	87.3	Confident	74.7	Confident	31 Å²	31	90 Å²	90	32%	0.32	49%	0.488	S	S	.	.	S	Bend	trans	-76.1	-177.3	174.7	0	0	0	0	0	112.7	T51 C70 C83	T51-G53 VanDerWaalsContact C-N 3.25Å; T51-G53 PolarHBondContact O-N 3.28Å; G53-C70 VanDerWaalsContact C-SG 3.59Å; G53-C70 WeakPolarHBondContact CA-SG 3.24Å; G53-C83 WeakPolarHBondContact O-CB 3.42Å
54	S	92.8	Very high	77.1	Confident	50 Å²	50	83.6 Å²	83.6	35%	0.35	47%	0.469	S	S	.	.			trans	-126.4	145.5	-177.8	177.9	0	0	0	0	112.3	R56 R58 D85	S54-R56 WeakPolarHBondContact OG-CB 3.44Å; S54-R56 PolarHBondContact OG-N 3.11Å; S54-R56 VanDerWaalsContact OG-N 3.12Å; S54-R58 PolarHBondContact O-NH1 3.12Å; S54-D85 WeakPolarHBondContact CA-OD1 3.33Å; S54-D85 WeakPolarHBondContact CA-OD2 3.5Å; S54-D85 VanDerWaalsContact CB-OD2 3.24Å; S54-D85 WeakPolarHBondContact CB-OD2 3.43Å; S54-D85 PolarHBondContact OG-OD2 3.35Å
55	C	94.3	Very high	79.5	Confident	0 Å²	0	79 Å²	79	0%	0	44%	0.438	C	S	.	.			trans	-90.4	9.1	170.5	-70.2	0	0	0	0	114.8	N57 R58 C72 C83 D85 L89	C55-N57 PolarHBondContact O-N 3.17Å; C55-N57 VanDerWaalsContact O-N 3.15Å; C55-R58 PolarHBondContact O-N 3.47Å; C55-C72 WeakPolarHBondContact CA-SG 3.4Å; C55-C72 HydrophobicContact CB-CB 3.86Å; C55-C72 WeakPolarHBondContact CB-SG 3.46Å; C55-C72 WeakPolarHBondContact SG-CB 3.31Å; C55-C72 CovalentContact SG-SG 2.04Å; C55-C72 PolarHBondContact SG-SG 3.39Å; C55-C83 VanDerWaalsContact SG-CB 3.53Å; C55-D85 PolarHBondContact N-OD1 3.23Å; C55-D85 PolarHBondContact N-OD2 3.09Å; C55-L89 HydrophobicContact CB-CD1 4.36Å
56	R	92.8	Very high	81.7	Confident	184 Å²	184	82.6 Å²	82.6	69%	0.694	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	122.3	174	-177.2	176.4	-74.9	-118.4	0.9	109.7	S54 R58 L89	S54-R56 WeakPolarHBondContact OG-CB 3.44Å; S54-R56 PolarHBondContact OG-N 3.11Å; S54-R56 VanDerWaalsContact OG-N 3.12Å; R56-R58 PolarHBondContact O-N 3.1Å; R56-L89 HydrophobicContact CB-CD1 4.15Å
57	N	89.4	Confident	83.6	Confident	163 Å²	163	80.4 Å²	80.4	87%	0.872	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	18	-175.5	-53.5	-26	0	0	0	115.5	C55	C55-N57 PolarHBondContact O-N 3.17Å; C55-N57 VanDerWaalsContact O-N 3.15Å
58	R	93.1	Very high	85	Confident	68 Å²	68	77 Å²	77	26%	0.257	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	6.1	-178.9	-68.5	178.9	58	-149.9	-2	114	S54 C55 R56 Y60 E61 C70 C72	S54-R58 PolarHBondContact O-NH1 3.12Å; C55-R58 PolarHBondContact O-N 3.47Å; R56-R58 PolarHBondContact O-N 3.1Å; R58-Y60 PolarHBondContact O-N 3.3Å; R58-E61 IonicContact CZ-OE1 3.46Å; R58-E61 IonicContact CZ-OE2 3.92Å; R58-E61 IonicContact NE-OE1 3.44Å; R58-E61 PolarHBondContact NE-OE1 2.82Å; R58-E61 IonicContact NE-OE2 3.61Å; R58-E61 PolarHBondContact NE-OE2 2.74Å; R58-E61 IonicContact NH2-OE1 3.58Å; R58-E61 PolarHBondContact NH2-OE1 3.06Å; R58-E61 IonicContact NH2-OE2 3.41Å; R58-E61 PolarHBondContact O-N 2.92Å; R58-C70 PolarHBondContact NH2-O 3.19Å; R58-C72 HydrophobicContact CB-CB 3.87Å; R58-C72 WeakPolarHBondContact O-CB 3.03Å
59	C	93.1	Very high	86.1	Confident	44 Å²	44	72.9 Å²	72.9	30%	0.297	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	122.1	-177.6	-71	0	0	0	0	111.8	E61 L89 C90	C59-E61 VanDerWaalsContact C-N 3.25Å; C59-E61 PolarHBondContact O-N 3.07Å; C59-L89 VanDerWaalsContact SG-C 3.54Å; C59-C90 WeakPolarHBondContact CA-SG 3.33Å; C59-C90 HydrophobicContact CB-CB 3.66Å; C59-C90 WeakPolarHBondContact CB-SG 3.49Å; C59-C90 WeakPolarHBondContact SG-CA 3.04Å; C59-C90 WeakPolarHBondContact SG-CB 3.48Å; C59-C90 CovalentContact SG-SG 2.04Å; C59-C90 PolarHBondContact SG-SG 3.31Å
60	Y	92.9	Very high	87.2	Confident	5 Å²	5	71.3 Å²	71.3	2%	0.02	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	35.6	179.9	-48	-69.3	0	0	0	113.9	R58 C72 N74 F86 C90 L91 F270 I276 R280 T284 W288	R58-Y60 PolarHBondContact O-N 3.3Å; Y60-C72 WeakPolarHBondContact CA-O 3.03Å; Y60-C72 PolarHBondContact N-O 3.32Å; Y60-N74 HydrophobicContact CD1-CB 4.01Å; Y60-N74 HydrophobicContact CE1-CB 4.43Å; Y60-F86 HydrophobicContact CE1-CE2 4.3Å; Y60-F86 AromaticContact CE1-CZ 3.92Å; Y60-F86 HydrophobicContact CE1-CZ 3.92Å; Y60-C90 HydrophobicContact CE2-CB 3.9Å; Y60-C90 VanDerWaalsContact CE2-O 3.26Å; Y60-C90 WeakPolarHBondContact CE2-O 3.05Å; Y60-C90 PolarHBondContact OH-O 3.4Å; Y60-L91 WeakPolarHBondContact OH-CD2 3.47Å; Y60-F270 HydrophobicContact CD1-CZ 4.34Å; Y60-I276 HydrophobicContact CE1-CD1 3.92Å; Y60-R280 HydrophobicContact CE2-CG 4.35Å; Y60-R280 WeakPolarHBondContact OH-CG 3.33Å; Y60-T284 VanDerWaalsContact CB-CG2 3.45Å; Y60-T284 HydrophobicContact CD1-CG2 4.28Å; Y60-T284 HydrophobicContact CD2-CG2 3.78Å; Y60-T284 HydrophobicContact CG-CG2 3.57Å; Y60-W288 PolarHBondContact O-NE1 3.34Å
61	E	91.9	Very high	88.1	Confident	52 Å²	52	70.4 Å²	70.4	24%	0.243	39%	0.385	C	S	.	.			trans	-54.7	143.2	170.4	64.1	-171.4	177.2	0	0	111.3	R58 C59	R58-E61 IonicContact CZ-OE1 3.46Å; R58-E61 IonicContact CZ-OE2 3.92Å; R58-E61 IonicContact NE-OE1 3.44Å; R58-E61 PolarHBondContact NE-OE1 2.82Å; R58-E61 IonicContact NE-OE2 3.61Å; R58-E61 PolarHBondContact NE-OE2 2.74Å; R58-E61 IonicContact NH2-OE1 3.58Å; R58-E61 PolarHBondContact NH2-OE1 3.06Å; R58-E61 IonicContact NH2-OE2 3.41Å; R58-E61 PolarHBondContact O-N 2.92Å; C59-E61 VanDerWaalsContact C-N 3.25Å; C59-E61 PolarHBondContact O-N 3.07Å
62	L	90	Very high	88.8	Confident	67 Å²	67	66.8 Å²	66.8	35%	0.351	36%	0.363	S	S	.	.	S	Bend	trans	-80.1	-21.5	-177.3	-66.2	173.4	0	0	0	112.9	A268 W288 L291 E295 P297	L62-A268 HydrophobicContact CD2-CB 3.62Å; L62-W288 HydrophobicContact CD2-CD2 4Å; L62-W288 HydrophobicContact CD2-CG 4.18Å; L62-W288 HydrophobicContact CD2-CZ2 4.07Å; L62-L291 HydrophobicContact CD1-CD1 3.69Å; L62-E295 WeakPolarHBondContact CD1-O 3.39Å; L62-P297 HydrophobicContact CD1-CG 3.71Å; L62-P297 HydrophobicContact CD2-CG 4.07Å
63	V	84.8	Confident	89.4	Confident	115 Å²	115	62.5 Å²	62.5	70%	0.697	33%	0.332	S	S	*	.	S	Bend	trans	-89.9	122.1	-179.5	-178.2	0	0	0	0	108.4	A65	V63-A65 PolarHBondContact O-N 3.36Å
64	E	82.8	Confident	89.5	Confident	109 Å²	109	61.7 Å²	61.7	51%	0.509	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-68.4	124.6	175.1	-177.4	167.4	-169.6	0	0	110.1	R71	E64-R71 IonicContact OE1-CZ 2.82Å; E64-R71 IonicContact OE1-NH1 3.76Å; E64-R71 PolarHBondContact OE1-NH1 3.44Å; E64-R71 IonicContact OE1-NH2 3.72Å; E64-R71 PolarHBondContact OE1-NH2 3.34Å
65	A	83.4	Confident	89.4	Confident	16 Å²	16	61.5 Å²	61.5	13%	0.132	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-75.8	129.8	175.8	0	0	0	0	0	110.8	V63 N69 R71	V63-A65 PolarHBondContact O-N 3.36Å; A65-N69 HydrophobicContact CB-CB 4.42Å; A65-R71 HydrophobicContact CB-CG 3.94Å
66	E	82.2	Confident	89.2	Confident	139 Å²	139	61.5 Å²	61.5	65%	0.65	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-76.2	140.9	178	-69.5	-66.7	164.5	0	0	112	N69	E66-N69 WeakPolarHBondContact O-CB 3.2Å; E66-N69 PolarHBondContact O-N 3.24Å; E66-N69 VanDerWaalsContact O-N 3.08Å
67	P	80.8	Confident	89.1	Confident	61 Å²	61	55.6 Å²	55.6	40%	0.396	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.5	170	-24	34.1	0	0	0	111.4	H47 V49	H47-P67 HydrophobicContact CB-CB 3.9Å; H47-P67 HydrophobicContact CB-CG 4.24Å; V49-P67 HydrophobicContact CG2-CB 4.28Å; V49-P67 HydrophobicContact CG2-CG 4.41Å
68	P	83.9	Confident	88.9	Confident	78 Å²	78	49.8 Å²	49.8	51%	0.506	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	6.2	15.1	36.3	-37.2	0	0	0	115.3	S50	S50-P68 PolarHBondContact N-O 3.14Å
69	N	88.6	Confident	88.7	Confident	102 Å²	102	49.8 Å²	49.8	55%	0.545	27%	0.266	S	S	.	.	S	Bend	trans	-70.2	139.2	-175.9	-66.4	-41.2	0	0	0	111.8	V49 A65 E66	V49-N69 WeakPolarHBondContact CG1-O 3.26Å; A65-N69 HydrophobicContact CB-CB 4.42Å; E66-N69 WeakPolarHBondContact O-CB 3.2Å; E66-N69 PolarHBondContact O-N 3.24Å; E66-N69 VanDerWaalsContact O-N 3.08Å
70	C	92.4	Very high	88.4	Confident	4 Å²	4	54 Å²	54	3%	0.027	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.7	148.4	170.2	61.1	0	0	0	0	112	V49 S50 G53 R58 S81 C83	V49-C70 HydrophobicContact CG1-CB 4.45Å; S50-C70 VanDerWaalsContact O-CB 3.26Å; S50-C70 WeakPolarHBondContact O-CB 3.39Å; G53-C70 VanDerWaalsContact C-SG 3.59Å; G53-C70 WeakPolarHBondContact CA-SG 3.24Å; R58-C70 PolarHBondContact NH2-O 3.19Å; C70-S81 WeakPolarHBondContact CA-O 3.46Å; C70-C83 HydrophobicContact CB-CB 3.83Å; C70-C83 WeakPolarHBondContact CB-SG 3.23Å; C70-C83 WeakPolarHBondContact SG-CA 3.44Å; C70-C83 WeakPolarHBondContact SG-CB 3.4Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 2.95Å
71	R	94	Very high	88.4	Confident	15 Å²	15	54 Å²	54	6%	0.057	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-96.3	151.4	-175.8	-78.5	173.6	56.4	159.1	20.9	111.8	E64 A65 D73 C76 S81 C82 C83	E64-R71 IonicContact OE1-CZ 2.82Å; E64-R71 IonicContact OE1-NH1 3.76Å; E64-R71 PolarHBondContact OE1-NH1 3.44Å; E64-R71 IonicContact OE1-NH2 3.72Å; E64-R71 PolarHBondContact OE1-NH2 3.34Å; A65-R71 HydrophobicContact CB-CG 3.94Å; R71-D73 VanDerWaalsContact CB-OD1 3.31Å; R71-D73 WeakPolarHBondContact CB-OD1 3.5Å; R71-D73 IonicContact CZ-OD1 2.66Å; R71-D73 IonicContact CZ-OD2 3.21Å; R71-D73 IonicContact NE-OD1 3.89Å; R71-D73 PolarHBondContact NE-OD1 3.4Å; R71-D73 IonicContact NE-OD2 2.76Å; R71-D73 VanDerWaalsContact NH2-CG 3.29Å; R71-D73 IonicContact NH2-OD1 3.23Å; R71-D73 PolarHBondContact NH2-OD1 2.92Å; R71-D73 IonicContact NH2-OD2 2.85Å; R71-D73 PolarHBondContact NH2-OD2 3.06Å; R71-C76 HydrophobicContact CB-CB 3.54Å; R71-S81 WeakPolarHBondContact CD-OG 3.38Å; R71-S81 PolarHBondContact N-O 3.15Å; R71-C82 VanDerWaalsContact O-CA 3.28Å; R71-C82 WeakPolarHBondContact O-CA 2.84Å; R71-C83 PolarHBondContact O-N 3.29Å; R71-C83 VanDerWaalsContact O-N 3.14Å
72	C	94.4	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.282	C	S	.	.			trans	-130.7	7.4	175.2	-60.1	0	0	0	0	112.8	C55 R58 Y60 C83 F86	C55-C72 WeakPolarHBondContact CA-SG 3.4Å; C55-C72 HydrophobicContact CB-CB 3.86Å; C55-C72 WeakPolarHBondContact CB-SG 3.46Å; C55-C72 WeakPolarHBondContact SG-CB 3.31Å; C55-C72 CovalentContact SG-SG 2.04Å; C55-C72 PolarHBondContact SG-SG 3.39Å; R58-C72 HydrophobicContact CB-CB 3.87Å; R58-C72 WeakPolarHBondContact O-CB 3.03Å; Y60-C72 WeakPolarHBondContact CA-O 3.03Å; Y60-C72 PolarHBondContact N-O 3.32Å; C72-C83 PolarHBondContact SG-SG 3.37Å; C72-F86 WeakPolarHBondContact O-CE2 3.37Å
73	D	92.7	Very high	88.6	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.048	27%	0.267	C	S	.	.	S	Bend	trans	-74.8	170.3	172.2	65.8	-86.1	0	0	0	112.1	R71 L75 C76	R71-D73 VanDerWaalsContact CB-OD1 3.31Å; R71-D73 WeakPolarHBondContact CB-OD1 3.5Å; R71-D73 IonicContact CZ-OD1 2.66Å; R71-D73 IonicContact CZ-OD2 3.21Å; R71-D73 IonicContact NE-OD1 3.89Å; R71-D73 PolarHBondContact NE-OD1 3.4Å; R71-D73 IonicContact NE-OD2 2.76Å; R71-D73 VanDerWaalsContact NH2-CG 3.29Å; R71-D73 IonicContact NH2-OD1 3.23Å; R71-D73 PolarHBondContact NH2-OD1 2.92Å; R71-D73 IonicContact NH2-OD2 2.85Å; R71-D73 PolarHBondContact NH2-OD2 3.06Å; D73-L75 PolarHBondContact O-N 3.32Å; D73-L75 WeakPolarHBondContact OD2-CA 3.11Å; D73-L75 WeakPolarHBondContact OD2-CB 3.28Å; D73-L75 PolarHBondContact OD2-N 2.05Å; D73-C76 WeakPolarHBondContact O-CB 3.02Å; D73-C76 PolarHBondContact O-N 2.66Å; D73-C76 PolarHBondContact O-SG 2.85Å; D73-C76 VanDerWaalsContact O-SG 3.4Å; D73-C76 PolarHBondContact OD2-N 2.04Å
74	N	89.5	Confident	89.1	Confident	15 Å²	15	48.8 Å²	48.8	8%	0.08	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.7	-175.5	64.5	-15.4	0	0	0	115.1	Y60 T269 F270 P273 I276	Y60-N74 HydrophobicContact CD1-CB 4.01Å; Y60-N74 HydrophobicContact CE1-CB 4.43Å; N74-T269 PolarHBondContact ND2-O 2.04Å; N74-F270 HydrophobicContact CB-CD1 3.98Å; N74-F270 HydrophobicContact CB-CE1 3.47Å; N74-F270 VanDerWaalsContact CB-CE1 3.47Å; N74-F270 HydrophobicContact CB-CZ 3.91Å; N74-F270 WeakPolarHBondContact ND2-CD1 3.46Å; N74-F270 WeakPolarHBondContact ND2-CG 3.09Å; N74-P273 WeakPolarHBondContact O-CB 3.48Å; N74-I276 HydrophobicContact CB-CD1 3.95Å
75	L	90.1	Very high	89.6	Confident	45 Å²	45	44.9 Å²	44.9	24%	0.236	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6	175.9	-65.9	176	0	0	0	113.3	D73 K77 T78 Y79	D73-L75 PolarHBondContact O-N 3.32Å; D73-L75 WeakPolarHBondContact OD2-CA 3.11Å; D73-L75 WeakPolarHBondContact OD2-CB 3.28Å; D73-L75 PolarHBondContact OD2-N 2.05Å; L75-K77 PolarHBondContact O-N 3.11Å; L75-T78 WeakPolarHBondContact O-CA 3.43Å; L75-T78 WeakPolarHBondContact O-CB 3.01Å; L75-T78 PolarHBondContact O-N 2.82Å; L75-Y79 HydrophobicContact CB-CD2 4.11Å; L75-Y79 HydrophobicContact CB-CE2 4.16Å; L75-Y79 HydrophobicContact CD1-CE2 4.46Å; L75-Y79 WeakPolarHBondContact O-CD2 3.33Å; L75-Y79 PolarHBondContact O-N 3.12Å
76	C	90.8	Very high	90.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-54.5	-35.5	-176.6	78.7	0	0	0	0	112.6	R71 D73 Y79 N80 S81 C82	R71-C76 HydrophobicContact CB-CB 3.54Å; D73-C76 WeakPolarHBondContact O-CB 3.02Å; D73-C76 PolarHBondContact O-N 2.66Å; D73-C76 PolarHBondContact O-SG 2.85Å; D73-C76 VanDerWaalsContact O-SG 3.4Å; D73-C76 PolarHBondContact OD2-N 2.04Å; C76-Y79 PolarHBondContact O-N 3.33Å; C76-N80 PolarHBondContact O-N 2.95Å; C76-S81 PolarHBondContact O-N 3.04Å; C76-S81 PolarHBondContact O-OG 3.24Å; C76-C82 HydrophobicContact CB-CB 3.92Å; C76-C82 WeakPolarHBondContact CB-SG 3.39Å; C76-C82 WeakPolarHBondContact SG-CB 3.24Å; C76-C82 CovalentContact SG-SG 2.05Å; C76-C82 PolarHBondContact SG-SG 3.21Å
77	K	89.2	Confident	90.6	Very high	60 Å²	60	42 Å²	42	26%	0.261	24%	0.235	S	C	.	.	H	α-helix	trans	-67.6	-37.8	178.4	-78.1	-165.8	168	-172.4	0	111.9	L75 Y79 N80 C82 F86 N87 L91 A275	L75-K77 PolarHBondContact O-N 3.11Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 2.84Å; K77-N80 PolarHBondContact O-N 3.42Å; K77-N80 PolarHBondContact O-OD1 2.71Å; K77-C82 VanDerWaalsContact CA-SG 3.57Å; K77-C82 VanDerWaalsContact CG-SG 3.51Å; K77-C82 PolarHBondContact N-SG 3.07Å; K77-F86 HydrophobicContact CD-CE1 4.19Å; K77-F86 HydrophobicContact CG-CD1 4.35Å; K77-F86 HydrophobicContact CG-CE1 4.06Å; K77-N87 WeakPolarHBondContact CE-OD1 3.07Å; K77-N87 PolarHBondContact NZ-OD1 3.29Å; K77-L91 HydrophobicContact CD-CD1 4.46Å; K77-A275 HydrophobicContact CD-CB 3.56Å
78	T	87	Confident	91.1	Very high	42 Å²	42	45.3 Å²	45.3	26%	0.258	25%	0.245	S	C	.	.	H	α-helix	trans	-66.4	-35.4	178.9	-56.4	0	0	0	0	111.3	L75 L246	L75-T78 WeakPolarHBondContact O-CA 3.43Å; L75-T78 WeakPolarHBondContact O-CB 3.01Å; L75-T78 PolarHBondContact O-N 2.82Å; T78-L246 HydrophobicContact CG2-CD1 4.15Å; T78-L246 HydrophobicContact CG2-CD2 3.54Å; T78-L246 HydrophobicContact CG2-CG 4.46Å
79	Y	87.2	Confident	91.6	Very high	67 Å²	67	42.8 Å²	42.8	26%	0.263	23%	0.227	S	C	.	.	H	α-helix	trans	-88.9	-3.2	178.5	-73.7	-80.1	0	0	0	114.2	L75 C76 K77 S81 L246	L75-Y79 HydrophobicContact CB-CD2 4.11Å; L75-Y79 HydrophobicContact CB-CE2 4.16Å; L75-Y79 HydrophobicContact CD1-CE2 4.46Å; L75-Y79 WeakPolarHBondContact O-CD2 3.33Å; L75-Y79 PolarHBondContact O-N 3.12Å; C76-Y79 PolarHBondContact O-N 3.33Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 2.84Å; Y79-S81 WeakPolarHBondContact CB-OG 3.33Å; Y79-S81 PolarHBondContact O-N 3.19Å; Y79-L246 HydrophobicContact CD1-CD1 4.01Å; Y79-L246 HydrophobicContact CE1-CB 4.03Å; Y79-L246 HydrophobicContact CE1-CD1 3.91Å; Y79-L246 HydrophobicContact CE1-CG 4.38Å
80	N	88.2	Confident	91.8	Very high	133 Å²	133	38.1 Å²	38.1	71%	0.711	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	42.8	-170.3	-68.6	-21.1	0	0	0	112.6	C76 K77	C76-N80 PolarHBondContact O-N 2.95Å; K77-N80 PolarHBondContact O-N 3.42Å; K77-N80 PolarHBondContact O-OD1 2.71Å
81	S	91.7	Very high	91.8	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.042	21%	0.207	C	C	.	.			trans	-123.6	11.9	-173.3	59.8	0	0	0	0	113.1	C70 R71 C76 Y79	C70-S81 WeakPolarHBondContact CA-O 3.46Å; R71-S81 WeakPolarHBondContact CD-OG 3.38Å; R71-S81 PolarHBondContact N-O 3.15Å; C76-S81 PolarHBondContact O-N 3.04Å; C76-S81 PolarHBondContact O-OG 3.24Å; Y79-S81 WeakPolarHBondContact CB-OG 3.33Å; Y79-S81 PolarHBondContact O-N 3.19Å
82	C	92.9	Very high	91.8	Very high	23 Å²	23	41 Å²	41	16%	0.155	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-66.4	150.7	179.1	-56.1	0	0	0	0	112.5	R71 C76 K77 F86	R71-C82 VanDerWaalsContact O-CA 3.28Å; R71-C82 WeakPolarHBondContact O-CA 2.84Å; C76-C82 HydrophobicContact CB-CB 3.92Å; C76-C82 WeakPolarHBondContact CB-SG 3.39Å; C76-C82 WeakPolarHBondContact SG-CB 3.24Å; C76-C82 CovalentContact SG-SG 2.05Å; C76-C82 PolarHBondContact SG-SG 3.21Å; K77-C82 VanDerWaalsContact CA-SG 3.57Å; K77-C82 VanDerWaalsContact CG-SG 3.51Å; K77-C82 PolarHBondContact N-SG 3.07Å; C82-F86 HydrophobicContact CB-CB 3.81Å; C82-F86 HydrophobicContact CB-CD1 4.42Å; C82-F86 HydrophobicContact CB-CG 4.09Å
83	C	95	Very high	91.7	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.027	24%	0.238	C	C	.	.			trans	-63.4	153.6	164.3	-55	0	0	0	0	110.6	G53 C55 C70 R71 C72 D85 F86	G53-C83 WeakPolarHBondContact O-CB 3.42Å; C55-C83 VanDerWaalsContact SG-CB 3.53Å; C70-C83 HydrophobicContact CB-CB 3.83Å; C70-C83 WeakPolarHBondContact CB-SG 3.23Å; C70-C83 WeakPolarHBondContact SG-CA 3.44Å; C70-C83 WeakPolarHBondContact SG-CB 3.4Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 2.95Å; R71-C83 PolarHBondContact O-N 3.29Å; R71-C83 VanDerWaalsContact O-N 3.14Å; C72-C83 PolarHBondContact SG-SG 3.37Å; C83-D85 PolarHBondContact O-N 3.12Å; C83-D85 VanDerWaalsContact O-N 3.1Å; C83-F86 WeakPolarHBondContact O-CB 3.45Å; C83-F86 PolarHBondContact O-N 3.26Å; C83-F86 VanDerWaalsContact O-N 3.11Å
84	S	93.8	Very high	91.8	Very high	96 Å²	96	48.6 Å²	48.6	67%	0.671	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-27.1	-174.8	54.7	0	0	0	0	113.9	T51	T51-S84 PolarHBondContact O-N 3.46Å; T51-S84 PolarHBondContact O-OG 3.12Å
85	D	94.6	Very high	91.8	Very high	27 Å²	27	49.7 Å²	49.7	14%	0.144	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	5.3	-177.3	62.7	-1.5	0	0	0	114.2	S54 C55 C83 N87 Q88 L89	S54-D85 WeakPolarHBondContact CA-OD1 3.33Å; S54-D85 WeakPolarHBondContact CA-OD2 3.5Å; S54-D85 VanDerWaalsContact CB-OD2 3.24Å; S54-D85 WeakPolarHBondContact CB-OD2 3.43Å; S54-D85 PolarHBondContact OG-OD2 3.35Å; C55-D85 PolarHBondContact N-OD1 3.23Å; C55-D85 PolarHBondContact N-OD2 3.09Å; C83-D85 PolarHBondContact O-N 3.12Å; C83-D85 VanDerWaalsContact O-N 3.1Å; D85-N87 PolarHBondContact O-N 2.78Å; D85-Q88 PolarHBondContact O-N 2.78Å; D85-Q88 VanDerWaalsContact O-N 3.17Å; D85-L89 HydrophobicContact CB-CD1 4.05Å; D85-L89 HydrophobicContact CB-CG 4.21Å; D85-L89 WeakPolarHBondContact O-CG 3.31Å; D85-L89 PolarHBondContact O-N 3.23Å; D85-L89 WeakPolarHBondContact OD2-CD1 3.41Å
86	F	94.3	Very high	92	Very high	3 Å²	3	49 Å²	49	1%	0.013	28%	0.276	C	S	.	.	H	α-helix	trans	-55.2	-45.4	-177.7	175.4	-95.6	0	0	0	113.2	Y60 C72 K77 C82 C83 Q88 C90 L91	Y60-F86 HydrophobicContact CE1-CE2 4.3Å; Y60-F86 AromaticContact CE1-CZ 3.92Å; Y60-F86 HydrophobicContact CE1-CZ 3.92Å; C72-F86 WeakPolarHBondContact O-CE2 3.37Å; K77-F86 HydrophobicContact CD-CE1 4.19Å; K77-F86 HydrophobicContact CG-CD1 4.35Å; K77-F86 HydrophobicContact CG-CE1 4.06Å; C82-F86 HydrophobicContact CB-CB 3.81Å; C82-F86 HydrophobicContact CB-CD1 4.42Å; C82-F86 HydrophobicContact CB-CG 4.09Å; C83-F86 WeakPolarHBondContact O-CB 3.45Å; C83-F86 PolarHBondContact O-N 3.26Å; C83-F86 VanDerWaalsContact O-N 3.11Å; F86-Q88 PolarHBondContact O-N 3.24Å; F86-C90 HydrophobicContact CD2-CB 3.91Å; F86-C90 HydrophobicContact CE2-CB 3.76Å; F86-C90 HydrophobicContact CG-CB 4.46Å; F86-C90 HydrophobicContact CZ-CB 4.19Å; F86-C90 WeakPolarHBondContact O-CA 3.49Å; F86-C90 VanDerWaalsContact O-CB 3.24Å; F86-C90 WeakPolarHBondContact O-CB 3.27Å; F86-C90 PolarHBondContact O-N 2.99Å; F86-L91 HydrophobicContact CD1-CD1 4.3Å; F86-L91 HydrophobicContact CE1-CD1 3.8Å; F86-L91 HydrophobicContact CE1-CG 4.08Å
87	N	92.1	Very high	92.2	Very high	92 Å²	92	50.7 Å²	50.7	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-44.5	-180	-72.6	-20.3	0	0	0	111.5	K77 D85 L91	K77-N87 WeakPolarHBondContact CE-OD1 3.07Å; K77-N87 PolarHBondContact NZ-OD1 3.29Å; D85-N87 PolarHBondContact O-N 2.78Å; N87-L91 CarbonylContact O-C 3.59Å; N87-L91 WeakPolarHBondContact O-CB 3.39Å; N87-L91 PolarHBondContact O-N 2.87Å; N87-L91 WeakPolarHBondContact OD1-CD1 3.46Å
88	Q	91.6	Very high	92.5	Very high	130 Å²	130	51.8 Å²	51.8	61%	0.607	29%	0.289	S	S	*	.	H	α-helix	trans	-67.9	-41.9	-177.9	-175.2	-178.3	3.4	0	0	111.5	D85 F86	D85-Q88 PolarHBondContact O-N 2.78Å; D85-Q88 VanDerWaalsContact O-N 3.17Å; F86-Q88 PolarHBondContact O-N 3.24Å
89	L	92.9	Very high	93	Very high	26 Å²	26	50.2 Å²	50.2	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-87.7	-35.2	-173.8	-62.7	-177.1	0	0	0	113.5	C55 R56 C59 D85 R92	C55-L89 HydrophobicContact CB-CD1 4.36Å; R56-L89 HydrophobicContact CB-CD1 4.15Å; C59-L89 VanDerWaalsContact SG-C 3.54Å; D85-L89 HydrophobicContact CB-CD1 4.05Å; D85-L89 HydrophobicContact CB-CG 4.21Å; D85-L89 WeakPolarHBondContact O-CG 3.31Å; D85-L89 PolarHBondContact O-N 3.23Å; D85-L89 WeakPolarHBondContact OD2-CD1 3.41Å; L89-R92 PolarHBondContact O-NE 2.63Å
90	C	93.6	Very high	93.5	Very high	3 Å²	3	49 Å²	49	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-109.5	-20	-169	-48.1	0	0	0	0	113.7	C59 Y60 F86	C59-C90 WeakPolarHBondContact CA-SG 3.33Å; C59-C90 HydrophobicContact CB-CB 3.66Å; C59-C90 WeakPolarHBondContact CB-SG 3.49Å; C59-C90 WeakPolarHBondContact SG-CA 3.04Å; C59-C90 WeakPolarHBondContact SG-CB 3.48Å; C59-C90 CovalentContact SG-SG 2.04Å; C59-C90 PolarHBondContact SG-SG 3.31Å; Y60-C90 HydrophobicContact CE2-CB 3.9Å; Y60-C90 VanDerWaalsContact CE2-O 3.26Å; Y60-C90 WeakPolarHBondContact CE2-O 3.05Å; Y60-C90 PolarHBondContact OH-O 3.4Å; F86-C90 HydrophobicContact CD2-CB 3.91Å; F86-C90 HydrophobicContact CE2-CB 3.76Å; F86-C90 HydrophobicContact CG-CB 4.46Å; F86-C90 HydrophobicContact CZ-CB 4.19Å; F86-C90 WeakPolarHBondContact O-CA 3.49Å; F86-C90 VanDerWaalsContact O-CB 3.24Å; F86-C90 WeakPolarHBondContact O-CB 3.27Å; F86-C90 PolarHBondContact O-N 2.99Å
91	L	93	Very high	93.8	Very high	25 Å²	25	53.2 Å²	53.2	13%	0.131	29%	0.287	C	S	.	.	S	Bend	trans	-110.1	40.5	178.4	-66.1	172.1	0	0	0	112.3	Y60 K77 F86 N87 I276 R280	Y60-L91 WeakPolarHBondContact OH-CD2 3.47Å; K77-L91 HydrophobicContact CD-CD1 4.46Å; F86-L91 HydrophobicContact CD1-CD1 4.3Å; F86-L91 HydrophobicContact CE1-CD1 3.8Å; F86-L91 HydrophobicContact CE1-CG 4.08Å; N87-L91 CarbonylContact O-C 3.59Å; N87-L91 WeakPolarHBondContact O-CB 3.39Å; N87-L91 PolarHBondContact O-N 2.87Å; N87-L91 WeakPolarHBondContact OD1-CD1 3.46Å; L91-I276 HydrophobicContact CD2-CB 4.4Å; L91-I276 HydrophobicContact CD2-CG1 4.14Å; L91-I276 HydrophobicContact CD2-CG2 4.08Å; L91-R280 HydrophobicContact CD2-CG 4.28Å
92	R	93.1	Very high	93.9	Very high	55 Å²	55	59.4 Å²	59.4	21%	0.208	32%	0.319	C	S	.	.			trans	-58.6	135.3	176.5	-64.2	175.7	-168.6	170.1	-2.2	111.3	L89 E110 Q111 A113 R280	L89-R92 PolarHBondContact O-NE 2.63Å; R92-E110 VanDerWaalsContact CD-O 3.31Å; R92-E110 WeakPolarHBondContact CD-O 3.49Å; R92-E110 PolarHBondContact NE-O 2.84Å; R92-E110 PolarHBondContact NH1-O 2.79Å; R92-E110 IonicContact NH1-OE2 2.75Å; R92-E110 PolarHBondContact NH1-OE2 3.14Å; R92-E110 PolarHBondContact NH2-O 2.95Å; R92-Q111 WeakPolarHBondContact CB-O 3.39Å; R92-A113 VanDerWaalsContact O-CB 3.22Å; R92-A113 WeakPolarHBondContact O-CB 3.41Å; R92-R280 PolarHBondContact O-NH2 2.99Å
93	T	93.1	Very high	94.1	Very high	81 Å²	81	59 Å²	59	50%	0.497	32%	0.315	S	S	.	.			trans	-124.3	-11.8	178.3	50.6	0	0	0	0	113.5	G96	T93-G96 PolarHBondContact O-N 3.36Å; T93-G96 VanDerWaalsContact O-N 3.11Å
94	D	93.3	Very high	94.2	Very high	87 Å²	87	61 Å²	61	47%	0.465	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-62	146.8	-176.7	-63.8	3.7	0	0	0	111	G96 H112 A113	D94-G96 PolarHBondContact O-N 2.71Å; D94-G96 VanDerWaalsContact O-N 3.08Å; D94-H112 CarbonylContact O-C 3.56Å; D94-H112 VanDerWaalsContact O-CA 3.27Å; D94-H112 WeakPolarHBondContact O-CA 3.25Å; D94-A113 PolarHBondContact O-N 3.26Å
95	G	89.6	Confident	94.3	Very high	38 Å²	38	58.5 Å²	58.5	39%	0.392	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-6.2	-173.8	0	0	0	0	0	114.8	R103	G95-R103 PolarHBondContact O-NH1 3.06Å
96	G	94.2	Very high	94.4	Very high	30 Å²	30	58.6 Å²	58.6	31%	0.309	32%	0.317	S	S	.	.			trans	71	179.8	-177.2	0	0	0	0	0	113.9	T93 D94	T93-G96 PolarHBondContact O-N 3.36Å; T93-G96 VanDerWaalsContact O-N 3.11Å; D94-G96 PolarHBondContact O-N 2.71Å; D94-G96 VanDerWaalsContact O-N 3.08Å
97	Y	96.1	Very high	94.4	Very high	37 Å²	37	65 Å²	65	15%	0.145	36%	0.356	C	S	.	.	S	Bend	trans	-93.1	3.8	-176.3	-63.6	-75.7	0	0	0	114.3	A113 C114 E279 R280 L283	Y97-A113 HydrophobicContact CD1-CB 3.97Å; Y97-A113 HydrophobicContact CE1-CB 3.92Å; Y97-C114 PolarHBondContact O-SG 3.45Å; Y97-E279 HydrophobicContact CD1-CB 3.57Å; Y97-E279 HydrophobicContact CD2-CB 3.7Å; Y97-E279 HydrophobicContact CD2-CG 3.87Å; Y97-E279 HydrophobicContact CE1-CB 3.93Å; Y97-E279 HydrophobicContact CE2-CB 4.05Å; Y97-E279 HydrophobicContact CE2-CG 4.44Å; Y97-E279 HydrophobicContact CG-CB 3.43Å; Y97-E279 VanDerWaalsContact CG-CB 3.43Å; Y97-E279 HydrophobicContact CG-CG 3.92Å; Y97-R280 HydrophobicContact CE1-CB 4.23Å; Y97-L283 HydrophobicContact CD1-CD1 3.71Å; Y97-L283 HydrophobicContact CE1-CD1 4.25Å
98	E	96.3	Very high	94.6	Very high	83 Å²	83	63.2 Å²	63.2	39%	0.388	34%	0.343	S	S	.	.	S	Bend	trans	-132.5	142.8	-178.1	-70.5	-178.5	-172.1	0	0	109.1	R103 Q334	E98-R103 PolarHBondContact O-NH1 3.23Å; E98-Q334 PolarHBondContact OE1-NE2 3.05Å
99	C	97.1	Very high	94.7	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.054	33%	0.327	C	S	.	.			trans	-66.3	150	166.3	-66.5	0	0	0	0	110.2	C116 N129 L133	C99-C116 WeakPolarHBondContact CA-SG 3.49Å; C99-C116 HydrophobicContact CB-CB 4.08Å; C99-C116 WeakPolarHBondContact CB-SG 3.5Å; C99-C116 WeakPolarHBondContact SG-CB 3.1Å; C99-C116 CovalentContact SG-SG 2.03Å; C99-C116 PolarHBondContact SG-SG 3.25Å; C99-N129 PolarHBondContact N-ND2 2.86Å; C99-N129 PolarHBondContact N-OD1 3.37Å; C99-N129 PolarHBondContact O-ND2 3.29Å; C99-L133 HydrophobicContact CB-CD2 3.87Å; C99-L133 WeakPolarHBondContact O-CD2 3.26Å
100	S	96.3	Very high	94.5	Very high	41 Å²	41	61.6 Å²	61.6	29%	0.287	34%	0.339	S	S	.	.			trans	-119.2	168.1	166.8	58.4	0	0	0	0	109.4	D102 R103 C104	S100-D102 WeakPolarHBondContact CB-OD1 3.46Å; S100-D102 PolarHBondContact O-N 3.18Å; S100-D102 PolarHBondContact OG-OD1 3.2Å; S100-D102 PolarHBondContact OG-OD2 3.47Å; S100-R103 PolarHBondContact O-N 2.9Å; S100-R103 VanDerWaalsContact O-N 3.08Å; S100-R103 WeakPolarHBondContact OG-CG 3.31Å; S100-C104 PolarHBondContact O-N 3.26Å; S100-C104 PolarHBondContact O-SG 3.03Å
101	R	94.9	Very high	94.2	Very high	223 Å²	223	65.8 Å²	65.8	84%	0.842	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-60.8	-36.1	-176.7	-72.9	-174.7	176.4	179.3	-0.8	112.6	R103 L133	R101-R103 VanDerWaalsContact C-N 3.31Å; R101-L133 HydrophobicContact CG-CD1 4.43Å
102	D	95.1	Very high	94.3	Very high	135 Å²	135	66.3 Å²	66.3	72%	0.722	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-71.2	-22.2	177.2	55.1	-66	0	0	0	113.5	S100	S100-D102 WeakPolarHBondContact CB-OD1 3.46Å; S100-D102 PolarHBondContact O-N 3.18Å; S100-D102 PolarHBondContact OG-OD1 3.2Å; S100-D102 PolarHBondContact OG-OD2 3.47Å
103	R	96.4	Very high	94.4	Very high	16 Å²	16	63.9 Å²	63.9	6%	0.06	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-89.1	-11.6	177.9	-70.1	-173.2	64.5	-152.3	-9.9	113.9	G95 E98 S100 R101 G105 E106 H112 C114 C116	G95-R103 PolarHBondContact O-NH1 3.06Å; E98-R103 PolarHBondContact O-NH1 3.23Å; S100-R103 PolarHBondContact O-N 2.9Å; S100-R103 VanDerWaalsContact O-N 3.08Å; S100-R103 WeakPolarHBondContact OG-CG 3.31Å; R101-R103 VanDerWaalsContact C-N 3.31Å; R103-G105 PolarHBondContact O-N 2.92Å; R103-E106 WeakPolarHBondContact CG-OE2 3.46Å; R103-E106 IonicContact CZ-OE1 3.09Å; R103-E106 IonicContact CZ-OE2 3.35Å; R103-E106 IonicContact NE-OE1 3.61Å; R103-E106 IonicContact NE-OE2 2.69Å; R103-E106 PolarHBondContact NE-OE2 3.23Å; R103-E106 IonicContact NH2-OE1 3.56Å; R103-E106 PolarHBondContact NH2-OE1 3.19Å; R103-E106 IonicContact NH2-OE2 3.15Å; R103-E106 PolarHBondContact NH2-OE2 2.81Å; R103-E106 VanDerWaalsContact O-CB 3.25Å; R103-E106 WeakPolarHBondContact O-CB 3.49Å; R103-E106 WeakPolarHBondContact O-CG 3.22Å; R103-E106 PolarHBondContact O-N 3.45Å; R103-H112 PolarHBondContact NH2-ND1 2.99Å; R103-C114 PolarHBondContact NH2-O 2.79Å; R103-C116 HydrophobicContact CB-CB 3.97Å; R103-C116 WeakPolarHBondContact O-CB 3.32Å
104	C	97.1	Very high	94.5	Very high	46 Å²	46	60.2 Å²	60.2	31%	0.311	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	117.4	179.8	-66.6	0	0	0	0	111	S100 C134	S100-C104 PolarHBondContact O-N 3.26Å; S100-C104 PolarHBondContact O-SG 3.03Å; C104-C134 WeakPolarHBondContact CA-SG 3.08Å; C104-C134 HydrophobicContact CB-CB 3.67Å; C104-C134 WeakPolarHBondContact CB-SG 3.1Å; C104-C134 WeakPolarHBondContact SG-CA 3.09Å; C104-C134 WeakPolarHBondContact SG-CB 3.25Å; C104-C134 CovalentContact SG-SG 2.04Å; C104-C134 PolarHBondContact SG-SG 2.8Å
105	G	95.9	Very high	94.7	Very high	43 Å²	43	56.4 Å²	56.4	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	20.8	-174.5	0	0	0	0	0	113.2	R103 C116	R103-G105 PolarHBondContact O-N 2.92Å; G105-C116 PolarHBondContact N-O 3.11Å
106	E	96	Very high	95.1	Very high	29 Å²	29	54.6 Å²	54.6	14%	0.136	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-56.6	149.5	177.2	66.3	-177.7	-169.6	0	0	112.2	R103 R108 H112 C116 S117	R103-E106 WeakPolarHBondContact CG-OE2 3.46Å; R103-E106 IonicContact CZ-OE1 3.09Å; R103-E106 IonicContact CZ-OE2 3.35Å; R103-E106 IonicContact NE-OE1 3.61Å; R103-E106 IonicContact NE-OE2 2.69Å; R103-E106 PolarHBondContact NE-OE2 3.23Å; R103-E106 IonicContact NH2-OE1 3.56Å; R103-E106 PolarHBondContact NH2-OE1 3.19Å; R103-E106 IonicContact NH2-OE2 3.15Å; R103-E106 PolarHBondContact NH2-OE2 2.81Å; R103-E106 VanDerWaalsContact O-CB 3.25Å; R103-E106 WeakPolarHBondContact O-CB 3.49Å; R103-E106 WeakPolarHBondContact O-CG 3.22Å; R103-E106 PolarHBondContact O-N 3.45Å; E106-R108 PolarHBondContact O-N 3.21Å; E106-H112 IonicContact OE1-CE1 3.32Å; E106-H112 IonicContact OE1-ND1 3.11Å; E106-H112 PolarHBondContact OE1-ND1 2.85Å; E106-H112 VanDerWaalsContact OE1-ND1 3.09Å; E106-H112 IonicContact OE2-CE1 3.94Å; E106-H112 PolarHBondContact OE2-CE1 2.78Å; E106-H112 VanDerWaalsContact OE2-CE1 3.23Å; E106-H112 IonicContact OE2-ND1 3.42Å; E106-H112 PolarHBondContact OE2-ND1 3.08Å; E106-C116 HydrophobicContact CG-CB 4.23Å; E106-C116 PolarHBondContact OE1-N 3.18Å; E106-C116 VanDerWaalsContact OE1-N 3.14Å; E106-S117 WeakPolarHBondContact O-CB 3.39Å
107	T	95.6	Very high	95.2	Very high	136 Å²	136	53.3 Å²	53.3	83%	0.834	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-65.6	128.2	162.3	-58.2	0	0	0	0	108.2	S109	T107-S109 PolarHBondContact O-N 3.19Å
108	R	95.1	Very high	95.2	Very high	56 Å²	56	56.6 Å²	56.6	21%	0.211	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-59	124.2	-173.5	-175.3	177.9	175.3	88.9	6.5	111.6	E106 E110 H115 D119 R123 D125	E106-R108 PolarHBondContact O-N 3.21Å; R108-E110 IonicContact CZ-OE1 3.63Å; R108-E110 IonicContact NE-OE1 3.85Å; R108-E110 PolarHBondContact NE-OE1 3.41Å; R108-E110 IonicContact NH2-OE1 3.99Å; R108-E110 PolarHBondContact NH2-OE1 2.99Å; R108-E110 VanDerWaalsContact NH2-OE1 3.11Å; R108-E110 IonicContact NH2-OE2 2.66Å; R108-H115 PolarHBondContact NH2-CE1 2.58Å; R108-H115 VanDerWaalsContact NH2-CE1 3.33Å; R108-D119 IonicContact NH1-OD1 3.33Å; R108-R123 VanDerWaalsContact CZ-CD 3.43Å; R108-D125 IonicContact CZ-OD2 3.87Å; R108-D125 IonicContact NH1-OD1 3.23Å; R108-D125 PolarHBondContact NH1-OD1 3.41Å; R108-D125 IonicContact NH1-OD2 3.84Å; R108-D125 PolarHBondContact NH1-OD2 3.5Å; R108-D125 IonicContact NH2-OD2 3.06Å; R108-D125 PolarHBondContact NH2-OD2 3.19Å
109	S	93	Very high	95.1	Very high	38 Å²	38	55.2 Å²	55.2	27%	0.266	29%	0.291	S	S	.	.			trans	-113.3	118.4	172.3	175.2	0	0	0	0	110.3	T107 Q111 H112 H115	T107-S109 PolarHBondContact O-N 3.19Å; S109-Q111 PolarHBondContact O-N 2.68Å; S109-Q111 VanDerWaalsContact O-N 3.07Å; S109-Q111 PolarHBondContact OG-N 3.26Å; S109-H112 PolarHBondContact O-N 2.7Å; S109-H112 VanDerWaalsContact O-N 3.12Å; S109-H115 PolarHBondContact O-NE2 3.02Å
110	E	89.3	Confident	95.1	Very high	84 Å²	84	54.9 Å²	54.9	39%	0.393	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-0.6	174.5	-67.6	-63.7	150.5	0	0	113	R92 R108	R92-E110 VanDerWaalsContact CD-O 3.31Å; R92-E110 WeakPolarHBondContact CD-O 3.49Å; R92-E110 PolarHBondContact NE-O 2.84Å; R92-E110 PolarHBondContact NH1-O 2.79Å; R92-E110 IonicContact NH1-OE2 2.75Å; R92-E110 PolarHBondContact NH1-OE2 3.14Å; R92-E110 PolarHBondContact NH2-O 2.95Å; R108-E110 IonicContact CZ-OE1 3.63Å; R108-E110 IonicContact NE-OE1 3.85Å; R108-E110 PolarHBondContact NE-OE1 3.41Å; R108-E110 IonicContact NH2-OE1 3.99Å; R108-E110 PolarHBondContact NH2-OE1 2.99Å; R108-E110 VanDerWaalsContact NH2-OE1 3.11Å; R108-E110 IonicContact NH2-OE2 2.66Å
111	Q	88.6	Confident	94.9	Very high	90 Å²	90	55.9 Å²	55.9	42%	0.421	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-18.4	171.3	-59.6	-58.5	-27.2	0	0	112.3	R92 S109	R92-Q111 WeakPolarHBondContact CB-O 3.39Å; S109-Q111 PolarHBondContact O-N 2.68Å; S109-Q111 VanDerWaalsContact O-N 3.07Å; S109-Q111 PolarHBondContact OG-N 3.26Å
112	H	94.6	Very high	94.7	Very high	37 Å²	37	49.2 Å²	49.2	17%	0.171	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-66.6	148.2	-176.7	-70	172.1	0	0	0	112.7	D94 R103 E106 S109 C114	D94-H112 CarbonylContact O-C 3.56Å; D94-H112 VanDerWaalsContact O-CA 3.27Å; D94-H112 WeakPolarHBondContact O-CA 3.25Å; R103-H112 PolarHBondContact NH2-ND1 2.99Å; E106-H112 IonicContact OE1-CE1 3.32Å; E106-H112 IonicContact OE1-ND1 3.11Å; E106-H112 PolarHBondContact OE1-ND1 2.85Å; E106-H112 VanDerWaalsContact OE1-ND1 3.09Å; E106-H112 IonicContact OE2-CE1 3.94Å; E106-H112 PolarHBondContact OE2-CE1 2.78Å; E106-H112 VanDerWaalsContact OE2-CE1 3.23Å; E106-H112 IonicContact OE2-ND1 3.42Å; E106-H112 PolarHBondContact OE2-ND1 3.08Å; S109-H112 PolarHBondContact O-N 2.7Å; S109-H112 VanDerWaalsContact O-N 3.12Å; H112-C114 VanDerWaalsContact C-N 3.34Å; H112-C114 WeakPolarHBondContact CB-O 3.34Å
113	A	94	Very high	94.4	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.033	27%	0.274	C	S	.	.	S	Bend	trans	-67	-37.9	178.6	0	0	0	0	0	112.4	R92 D94 Y97 R280	R92-A113 VanDerWaalsContact O-CB 3.22Å; R92-A113 WeakPolarHBondContact O-CB 3.41Å; D94-A113 PolarHBondContact O-N 3.26Å; Y97-A113 HydrophobicContact CD1-CB 3.97Å; Y97-A113 HydrophobicContact CE1-CB 3.92Å; A113-R280 PolarHBondContact O-NH1 3.19Å; A113-R280 PolarHBondContact O-NH2 3.21Å
114	C	96.4	Very high	94.1	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.02	28%	0.279	C	S	.	.	S	Bend	trans	-150.4	163.5	173.2	55.2	0	0	0	0	108.7	Y97 R103 H112 C127 L283	Y97-C114 PolarHBondContact O-SG 3.45Å; R103-C114 PolarHBondContact NH2-O 2.79Å; H112-C114 VanDerWaalsContact C-N 3.34Å; H112-C114 WeakPolarHBondContact CB-O 3.34Å; C114-C127 HydrophobicContact CB-CB 3.91Å; C114-C127 WeakPolarHBondContact CB-SG 3.07Å; C114-C127 WeakPolarHBondContact SG-CA 3.42Å; C114-C127 WeakPolarHBondContact SG-CB 3.48Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 3.17Å; C114-L283 HydrophobicContact CB-CD1 3.85Å; C114-L283 HydrophobicContact CB-CD2 4.2Å
115	H	97.4	Very high	94	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.032	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-110.5	154.5	-169.3	-54.6	88.7	0	0	0	113	R108 S109 C120 D125 C126 C127	R108-H115 PolarHBondContact NH2-CE1 2.58Å; R108-H115 VanDerWaalsContact NH2-CE1 3.33Å; S109-H115 PolarHBondContact O-NE2 3.02Å; H115-C120 HydrophobicContact CB-CB 3.79Å; H115-D125 IonicContact CE1-OD2 2.92Å; H115-D125 PolarHBondContact CE1-OD2 2.89Å; H115-D125 VanDerWaalsContact CE1-OD2 3.26Å; H115-D125 IonicContact CG-OD1 2.64Å; H115-D125 IonicContact CG-OD2 2.71Å; H115-D125 PolarHBondContact N-O 2.76Å; H115-D125 PolarHBondContact ND1-O 2.77Å; H115-D125 IonicContact ND1-OD1 3.09Å; H115-D125 PolarHBondContact ND1-OD1 3.3Å; H115-D125 IonicContact ND1-OD2 3.35Å; H115-D125 PolarHBondContact ND1-OD2 3.3Å; H115-C126 CarbonylContact O-C 3.47Å; H115-C126 VanDerWaalsContact O-CA 3.25Å; H115-C126 WeakPolarHBondContact O-CA 3.38Å; H115-C127 PolarHBondContact O-N 2.97Å
116	C	97.6	Very high	94	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.			trans	-126.2	14.4	173.8	-52.4	0	0	0	0	111.8	C99 R103 G105 E106 Y130	C99-C116 WeakPolarHBondContact CA-SG 3.49Å; C99-C116 HydrophobicContact CB-CB 4.08Å; C99-C116 WeakPolarHBondContact CB-SG 3.5Å; C99-C116 WeakPolarHBondContact SG-CB 3.1Å; C99-C116 CovalentContact SG-SG 2.03Å; C99-C116 PolarHBondContact SG-SG 3.25Å; R103-C116 HydrophobicContact CB-CB 3.97Å; R103-C116 WeakPolarHBondContact O-CB 3.32Å; G105-C116 PolarHBondContact N-O 3.11Å; E106-C116 HydrophobicContact CG-CB 4.23Å; E106-C116 PolarHBondContact OE1-N 3.18Å; E106-C116 VanDerWaalsContact OE1-N 3.14Å; C116-Y130 HydrophobicContact CB-CD2 4.25Å; C116-Y130 WeakPolarHBondContact O-CE2 3.26Å
117	S	97.2	Very high	94.1	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.028	25%	0.246	C	C	.	.	S	Bend	trans	-71.8	159.1	174.9	56	0	0	0	0	111.4	E106 D119 C120	E106-S117 WeakPolarHBondContact O-CB 3.39Å; S117-D119 VanDerWaalsContact CB-OD1 3.31Å; S117-D119 WeakPolarHBondContact CB-OD1 3.49Å; S117-D119 PolarHBondContact O-N 3.1Å; S117-D119 PolarHBondContact OG-OD1 3.16Å; S117-C120 WeakPolarHBondContact O-CB 3.35Å; S117-C120 PolarHBondContact O-N 3.33Å; S117-C120 PolarHBondContact O-SG 3.08Å
118	D	95.3	Very high	94.2	Very high	105 Å²	105	39.2 Å²	39.2	56%	0.561	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.1	-178.1	-70.2	-38.2	0	0	0	113.8	R135	D118-R135 IonicContact OD1-CZ 3.11Å; D118-R135 IonicContact OD1-NH1 3.33Å; D118-R135 IonicContact OD1-NH2 2.7Å; D118-R135 PolarHBondContact OD1-NH2 3.37Å
119	D	95.3	Very high	94.3	Very high	55 Å²	55	37.6 Å²	37.6	29%	0.294	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.8	180	75.7	-32.4	0	0	0	114.5	R108 S117 L121 A122 R123	R108-D119 IonicContact NH1-OD1 3.33Å; S117-D119 VanDerWaalsContact CB-OD1 3.31Å; S117-D119 WeakPolarHBondContact CB-OD1 3.49Å; S117-D119 PolarHBondContact O-N 3.1Å; S117-D119 PolarHBondContact OG-OD1 3.16Å; D119-L121 VanDerWaalsContact C-N 3.25Å; D119-L121 PolarHBondContact O-N 3.45Å; D119-A122 PolarHBondContact O-N 3.14Å; D119-R123 PolarHBondContact O-N 2.67Å; D119-R123 WeakPolarHBondContact OD2-CD 3.34Å; D119-R123 IonicContact OD2-CZ 2.74Å; D119-R123 IonicContact OD2-NE 3.36Å; D119-R123 PolarHBondContact OD2-NE 2.79Å
120	C	95.6	Very high	94.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-31.8	-171.3	75.1	0	0	0	0	113.1	H115 S117 R123 G124 D125 C126	H115-C120 HydrophobicContact CB-CB 3.79Å; S117-C120 WeakPolarHBondContact O-CB 3.35Å; S117-C120 PolarHBondContact O-N 3.33Å; S117-C120 PolarHBondContact O-SG 3.08Å; C120-R123 CarbonylContact O-C 3.53Å; C120-R123 PolarHBondContact O-N 3.06Å; C120-G124 PolarHBondContact O-N 3.25Å; C120-D125 VanDerWaalsContact CA-OD1 3.32Å; C120-D125 WeakPolarHBondContact CA-OD1 3.36Å; C120-D125 WeakPolarHBondContact CB-OD1 3.4Å; C120-D125 PolarHBondContact O-N 3.08Å; C120-D125 VanDerWaalsContact O-N 3.09Å; C120-C126 HydrophobicContact CB-CB 3.94Å; C120-C126 WeakPolarHBondContact CB-SG 3.29Å; C120-C126 PolarHBondContact O-SG 3.04Å; C120-C126 VanDerWaalsContact SG-CA 3.58Å; C120-C126 WeakPolarHBondContact SG-CB 3.34Å; C120-C126 CovalentContact SG-SG 2.04Å; C120-C126 PolarHBondContact SG-SG 3.43Å
121	L	92.4	Very high	94.8	Very high	63 Å²	63	35.3 Å²	35.3	33%	0.33	19%	0.185	S	C	.	.	H	α-helix	trans	-69.4	-39.7	-179.1	-75.7	174.1	0	0	0	111	D119 R123 G124 C126 Y130 R131	D119-L121 VanDerWaalsContact C-N 3.25Å; D119-L121 PolarHBondContact O-N 3.45Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-G124 PolarHBondContact O-N 3.32Å; L121-C126 VanDerWaalsContact CA-SG 3.53Å; L121-C126 VanDerWaalsContact CD2-SG 3.55Å; L121-C126 VanDerWaalsContact CG-SG 3.57Å; L121-C126 PolarHBondContact N-SG 3.49Å; L121-Y130 HydrophobicContact CD1-CD1 4.39Å; L121-Y130 HydrophobicContact CD1-CE1 3.79Å; L121-Y130 HydrophobicContact CD2-CD1 4.21Å; L121-Y130 HydrophobicContact CD2-CE1 4.37Å; L121-Y130 HydrophobicContact CG-CD1 4.12Å; L121-Y130 HydrophobicContact CG-CE1 3.8Å; L121-R131 HydrophobicContact CD1-CG 4.35Å; L121-R131 HydrophobicContact CD2-CG 4.26Å
122	A	90.6	Very high	95.1	Very high	83 Å²	83	35.3 Å²	35.3	69%	0.686	18%	0.184	S	C	*	.	H	α-helix	trans	-67.4	-36.3	176.9	0	0	0	0	0	111.1	D119 H290	D119-A122 PolarHBondContact O-N 3.14Å; A122-H290 PolarHBondContact O-NE2 2.79Å
123	R	89.9	Confident	95.2	Very high	141 Å²	141	36.7 Å²	36.7	53%	0.532	19%	0.192	S	C	.	.	H	α-helix	trans	-80.2	-13.3	177.2	-69.6	-178.9	174.3	-115.8	-4.8	114.4	R108 D119 C120 L121 D125	R108-R123 VanDerWaalsContact CZ-CD 3.43Å; D119-R123 PolarHBondContact O-N 2.67Å; D119-R123 WeakPolarHBondContact OD2-CD 3.34Å; D119-R123 IonicContact OD2-CZ 2.74Å; D119-R123 IonicContact OD2-NE 3.36Å; D119-R123 PolarHBondContact OD2-NE 2.79Å; C120-R123 CarbonylContact O-C 3.53Å; C120-R123 PolarHBondContact O-N 3.06Å; L121-R123 VanDerWaalsContact C-N 3.31Å; R123-D125 VanDerWaalsContact C-N 3.35Å
124	G	90.2	Very high	95.3	Very high	15 Å²	15	37.7 Å²	37.7	16%	0.155	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	29.2	-179.5	0	0	0	0	0	113.9	C120 L121 H290	C120-G124 PolarHBondContact O-N 3.25Å; L121-G124 PolarHBondContact O-N 3.32Å; G124-H290 PolarHBondContact N-NE2 2.94Å
125	D	94.3	Very high	95.3	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.102	22%	0.221	C	C	.	.			trans	-130.7	19.7	-173	69.5	1.4	0	0	0	114.3	R108 H115 C120 R123	R108-D125 IonicContact CZ-OD2 3.87Å; R108-D125 IonicContact NH1-OD1 3.23Å; R108-D125 PolarHBondContact NH1-OD1 3.41Å; R108-D125 IonicContact NH1-OD2 3.84Å; R108-D125 PolarHBondContact NH1-OD2 3.5Å; R108-D125 IonicContact NH2-OD2 3.06Å; R108-D125 PolarHBondContact NH2-OD2 3.19Å; H115-D125 IonicContact CE1-OD2 2.92Å; H115-D125 PolarHBondContact CE1-OD2 2.89Å; H115-D125 VanDerWaalsContact CE1-OD2 3.26Å; H115-D125 IonicContact CG-OD1 2.64Å; H115-D125 IonicContact CG-OD2 2.71Å; H115-D125 PolarHBondContact N-O 2.76Å; H115-D125 PolarHBondContact ND1-O 2.77Å; H115-D125 IonicContact ND1-OD1 3.09Å; H115-D125 PolarHBondContact ND1-OD1 3.3Å; H115-D125 IonicContact ND1-OD2 3.35Å; H115-D125 PolarHBondContact ND1-OD2 3.3Å; C120-D125 VanDerWaalsContact CA-OD1 3.32Å; C120-D125 WeakPolarHBondContact CA-OD1 3.36Å; C120-D125 WeakPolarHBondContact CB-OD1 3.4Å; C120-D125 PolarHBondContact O-N 3.08Å; C120-D125 VanDerWaalsContact O-N 3.09Å; R123-D125 VanDerWaalsContact C-N 3.35Å
126	C	96.6	Very high	95	Very high	15 Å²	15	46.5 Å²	46.5	10%	0.101	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-62.2	151.5	171.6	-58.2	0	0	0	0	112.2	H115 C120 L121 Y130	H115-C126 CarbonylContact O-C 3.47Å; H115-C126 VanDerWaalsContact O-CA 3.25Å; H115-C126 WeakPolarHBondContact O-CA 3.38Å; C120-C126 HydrophobicContact CB-CB 3.94Å; C120-C126 WeakPolarHBondContact CB-SG 3.29Å; C120-C126 PolarHBondContact O-SG 3.04Å; C120-C126 VanDerWaalsContact SG-CA 3.58Å; C120-C126 WeakPolarHBondContact SG-CB 3.34Å; C120-C126 CovalentContact SG-SG 2.04Å; C120-C126 PolarHBondContact SG-SG 3.43Å; L121-C126 VanDerWaalsContact CA-SG 3.53Å; L121-C126 VanDerWaalsContact CD2-SG 3.55Å; L121-C126 VanDerWaalsContact CG-SG 3.57Å; L121-C126 PolarHBondContact N-SG 3.49Å; C126-Y130 HydrophobicContact CB-CD1 4.24Å; C126-Y130 HydrophobicContact CB-CG 4.17Å
127	C	97.7	Very high	94.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.			trans	-62.5	149.2	162.3	-53.7	0	0	0	0	110.6	C114 H115 N129 Y130 Q341	C114-C127 HydrophobicContact CB-CB 3.91Å; C114-C127 WeakPolarHBondContact CB-SG 3.07Å; C114-C127 WeakPolarHBondContact SG-CA 3.42Å; C114-C127 WeakPolarHBondContact SG-CB 3.48Å; C114-C127 CovalentContact SG-SG 2.03Å; C114-C127 PolarHBondContact SG-SG 3.17Å; H115-C127 PolarHBondContact O-N 2.97Å; C127-N129 PolarHBondContact O-N 2.89Å; C127-N129 VanDerWaalsContact O-N 3.09Å; C127-Y130 VanDerWaalsContact O-CB 3.25Å; C127-Y130 WeakPolarHBondContact O-CB 3.47Å; C127-Y130 PolarHBondContact O-N 3.37Å; C127-Q341 PolarHBondContact O-NE2 2.96Å
128	T	97.5	Very high	94.8	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.5	-170.5	60.5	0	0	0	0	114.1	I282 L283 L286 Q334 D337 Q341	T128-I282 HydrophobicContact CG2-CG2 4.3Å; T128-L283 HydrophobicContact CG2-CD2 3.97Å; T128-L286 HydrophobicContact CG2-CD1 3.62Å; T128-Q334 VanDerWaalsContact CB-O 3.24Å; T128-Q334 WeakPolarHBondContact CB-O 3.38Å; T128-Q334 HydrophobicContact CG2-CB 4.24Å; T128-Q334 WeakPolarHBondContact CG2-O 3.06Å; T128-Q334 WeakPolarHBondContact OG1-CB 3.49Å; T128-Q334 WeakPolarHBondContact OG1-CG 3.04Å; T128-D337 VanDerWaalsContact O-CB 3.24Å; T128-D337 WeakPolarHBondContact O-CB 3.28Å; T128-Q341 PolarHBondContact O-NE2 2.92Å
129	N	96.9	Very high	94.9	Very high	22 Å²	22	47.5 Å²	47.5	12%	0.118	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	4.1	174.5	70.8	-25.3	0	0	0	113.5	C99 C127 R131 K132 L133	C99-N129 PolarHBondContact N-ND2 2.86Å; C99-N129 PolarHBondContact N-OD1 3.37Å; C99-N129 PolarHBondContact O-ND2 3.29Å; C127-N129 PolarHBondContact O-N 2.89Å; C127-N129 VanDerWaalsContact O-N 3.09Å; N129-R131 PolarHBondContact O-N 3.2Å; N129-K132 PolarHBondContact O-N 3.48Å; N129-L133 WeakPolarHBondContact O-CB 3.47Å; N129-L133 PolarHBondContact O-N 3.09Å
130	Y	97.8	Very high	95	Very high	1 Å²	1	45 Å²	45	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-55.4	-171.2	167.6	-102.6	0	0	0	113.6	C116 L121 C126 C127 K132 L133 C134 R135	C116-Y130 HydrophobicContact CB-CD2 4.25Å; C116-Y130 WeakPolarHBondContact O-CE2 3.26Å; L121-Y130 HydrophobicContact CD1-CD1 4.39Å; L121-Y130 HydrophobicContact CD1-CE1 3.79Å; L121-Y130 HydrophobicContact CD2-CD1 4.21Å; L121-Y130 HydrophobicContact CD2-CE1 4.37Å; L121-Y130 HydrophobicContact CG-CD1 4.12Å; L121-Y130 HydrophobicContact CG-CE1 3.8Å; C126-Y130 HydrophobicContact CB-CD1 4.24Å; C126-Y130 HydrophobicContact CB-CG 4.17Å; C127-Y130 VanDerWaalsContact O-CB 3.25Å; C127-Y130 WeakPolarHBondContact O-CB 3.47Å; C127-Y130 PolarHBondContact O-N 3.37Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.97Å; Y130-L133 PolarHBondContact O-N 2.74Å; Y130-C134 HydrophobicContact CD2-CB 3.89Å; Y130-C134 HydrophobicContact CE2-CB 3.82Å; Y130-C134 WeakPolarHBondContact O-CA 3.27Å; Y130-C134 VanDerWaalsContact O-CB 3.3Å; Y130-C134 WeakPolarHBondContact O-CB 3.35Å; Y130-C134 PolarHBondContact O-N 3.35Å; Y130-R135 HydrophobicContact CE1-CG 4.24Å; Y130-R135 PolarHBondContact OH-NE 2.7Å; Y130-R135 PolarHBondContact OH-NH2 3.48Å
131	R	95.8	Very high	95.1	Very high	73 Å²	73	48 Å²	48	28%	0.275	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-38.4	179.9	-71	-174.6	61.1	137.2	7.1	112.3	L121 N129 R135 G136 D137 Q341	L121-R131 HydrophobicContact CD1-CG 4.35Å; L121-R131 HydrophobicContact CD2-CG 4.26Å; N129-R131 PolarHBondContact O-N 3.2Å; R131-R135 HydrophobicContact CB-CB 4.45Å; R131-R135 HydrophobicContact CG-CG 4.48Å; R131-R135 CarbonylContact O-C 3.58Å; R131-R135 WeakPolarHBondContact O-CA 3.04Å; R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 2.99Å; R131-R135 PolarHBondContact O-N 2.73Å; R131-G136 PolarHBondContact O-N 2.99Å; R131-G136 VanDerWaalsContact O-N 3.11Å; R131-D137 HydrophobicContact CB-CB 4.15Å; R131-D137 IonicContact CZ-OD2 2.92Å; R131-D137 IonicContact NE-OD2 3.23Å; R131-D137 PolarHBondContact NE-OD2 2.91Å; R131-D137 IonicContact NH2-OD1 3.96Å; R131-D137 IonicContact NH2-OD2 3.45Å; R131-D137 PolarHBondContact NH2-OD2 3.11Å; R131-D137 PolarHBondContact O-N 3.11Å; R131-D137 VanDerWaalsContact O-N 3.14Å; R131-Q341 HydrophobicContact CB-CG 3.9Å; R131-Q341 HydrophobicContact CG-CB 4.42Å; R131-Q341 HydrophobicContact CG-CG 3.88Å
132	K	94.2	Very high	95.3	Very high	89 Å²	89	50.7 Å²	50.7	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-60.2	-49	176.8	-177.7	-163.9	-172.8	170.4	0	111.4	N129 Y130 D137 S139	N129-K132 PolarHBondContact O-N 3.48Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.97Å; K132-D137 VanDerWaalsContact CA-O 3.28Å; K132-D137 WeakPolarHBondContact CA-O 3.46Å; K132-D137 WeakPolarHBondContact CG-O 3.42Å; K132-S139 PolarHBondContact NZ-OG 3.23Å
133	L	95.9	Very high	95.6	Very high	67 Å²	67	49 Å²	49	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-82.5	-45.4	-173.4	-173	67.8	0	0	0	113.2	C99 R101 N129 Y130	C99-L133 HydrophobicContact CB-CD2 3.87Å; C99-L133 WeakPolarHBondContact O-CD2 3.26Å; R101-L133 HydrophobicContact CG-CD1 4.43Å; N129-L133 WeakPolarHBondContact O-CB 3.47Å; N129-L133 PolarHBondContact O-N 3.09Å; Y130-L133 PolarHBondContact O-N 2.74Å
134	C	96.8	Very high	95.9	Very high	25 Å²	25	49.9 Å²	49.9	17%	0.169	26%	0.263	C	S	.	.	H	α-helix	trans	-98.9	-17.8	-170.1	-56.5	0	0	0	0	114	C104 Y130	C104-C134 WeakPolarHBondContact CA-SG 3.08Å; C104-C134 HydrophobicContact CB-CB 3.67Å; C104-C134 WeakPolarHBondContact CB-SG 3.1Å; C104-C134 WeakPolarHBondContact SG-CA 3.09Å; C104-C134 WeakPolarHBondContact SG-CB 3.25Å; C104-C134 CovalentContact SG-SG 2.04Å; C104-C134 PolarHBondContact SG-SG 2.8Å; Y130-C134 HydrophobicContact CD2-CB 3.89Å; Y130-C134 HydrophobicContact CE2-CB 3.82Å; Y130-C134 WeakPolarHBondContact O-CA 3.27Å; Y130-C134 VanDerWaalsContact O-CB 3.3Å; Y130-C134 WeakPolarHBondContact O-CB 3.35Å; Y130-C134 PolarHBondContact O-N 3.35Å
135	R	95.8	Very high	96.2	Very high	128 Å²	128	50.7 Å²	50.7	48%	0.483	27%	0.266	S	S	.	.	S	Bend	trans	-115.5	-4.7	178.9	-56.2	-61	-173.4	-153.5	5.2	113.9	D118 Y130 R131	D118-R135 IonicContact OD1-CZ 3.11Å; D118-R135 IonicContact OD1-NH1 3.33Å; D118-R135 IonicContact OD1-NH2 2.7Å; D118-R135 PolarHBondContact OD1-NH2 3.37Å; Y130-R135 HydrophobicContact CE1-CG 4.24Å; Y130-R135 PolarHBondContact OH-NE 2.7Å; Y130-R135 PolarHBondContact OH-NH2 3.48Å; R131-R135 HydrophobicContact CB-CB 4.45Å; R131-R135 HydrophobicContact CG-CG 4.48Å; R131-R135 CarbonylContact O-C 3.58Å; R131-R135 WeakPolarHBondContact O-CA 3.04Å; R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 2.99Å; R131-R135 PolarHBondContact O-N 2.73Å
136	G	92	Very high	96.3	Very high	67 Å²	67	55.5 Å²	55.5	69%	0.691	29%	0.287	S	S	*	.			trans	79.4	14.7	177.2	0	0	0	0	0	114.8	R131	R131-G136 PolarHBondContact O-N 2.99Å; R131-G136 VanDerWaalsContact O-N 3.11Å
137	D	94.5	Very high	96.4	Very high	54 Å²	54	58 Å²	58	29%	0.289	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-70.7	160	176.3	-72.4	10.1	0	0	0	111.6	R131 K132	R131-D137 HydrophobicContact CB-CB 4.15Å; R131-D137 IonicContact CZ-OD2 2.92Å; R131-D137 IonicContact NE-OD2 3.23Å; R131-D137 PolarHBondContact NE-OD2 2.91Å; R131-D137 IonicContact NH2-OD1 3.96Å; R131-D137 IonicContact NH2-OD2 3.45Å; R131-D137 PolarHBondContact NH2-OD2 3.11Å; R131-D137 PolarHBondContact O-N 3.11Å; R131-D137 VanDerWaalsContact O-N 3.14Å; K132-D137 VanDerWaalsContact CA-O 3.28Å; K132-D137 WeakPolarHBondContact CA-O 3.46Å; K132-D137 WeakPolarHBondContact CG-O 3.42Å
138	T	95.9	Very high	96.4	Very high	70 Å²	70	58.4 Å²	58.4	43%	0.429	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-78.3	148.6	169.1	54	0	0	0	0	111.1	D143 K340	T138-D143 PolarHBondContact OG1-OD1 3.28Å; T138-K340 PolarHBondContact O-NZ 3.07Å; T138-K340 PolarHBondContact OG1-NZ 3.47Å
139	S	96.6	Very high	96.2	Very high	5 Å²	5	67.3 Å²	67.3	4%	0.035	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-66.3	155.2	164.6	48.5	0	0	0	0	111.2	K132 L141 Q142 D143 D337	K132-S139 PolarHBondContact NZ-OG 3.23Å; S139-L141 PolarHBondContact O-N 3.46Å; S139-Q142 PolarHBondContact O-N 2.93Å; S139-Q142 VanDerWaalsContact OG-CD 3.24Å; S139-Q142 VanDerWaalsContact OG-CG 3.3Å; S139-Q142 WeakPolarHBondContact OG-CG 3.33Å; S139-Q142 PolarHBondContact OG-OE1 3.09Å; S139-D143 PolarHBondContact O-N 3.34Å; S139-D337 WeakPolarHBondContact CA-OD1 3.43Å; S139-D337 WeakPolarHBondContact CB-OD1 3.46Å
140	W	97.9	Very high	96.1	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.015	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-53.2	-40.4	171.8	174.6	82.4	0	0	0	111	Q142 D143 N184 K187 L188 M336 D337 K340 Y483	W140-Q142 PolarHBondContact O-N 2.9Å; W140-D143 PolarHBondContact O-N 3.34Å; W140-N184 HydrophobicContact CZ3-CB 4.32Å; W140-K187 HydrophobicContact CD2-CD 4.39Å; W140-K187 HydrophobicContact CE3-CD 4.05Å; W140-K187 HydrophobicContact CH2-CB 3.64Å; W140-K187 HydrophobicContact CH2-CD 3.62Å; W140-K187 HydrophobicContact CH2-CG 3.46Å; W140-K187 VanDerWaalsContact CH2-CG 3.46Å; W140-K187 HydrophobicContact CZ2-CD 3.96Å; W140-K187 HydrophobicContact CZ2-CG 3.97Å; W140-K187 HydrophobicContact CZ3-CB 3.82Å; W140-K187 HydrophobicContact CZ3-CD 3.67Å; W140-K187 HydrophobicContact CZ3-CG 3.89Å; W140-K187 PolarHBondContact O-NZ 3.36Å; W140-L188 HydrophobicContact CH2-CD2 3.65Å; W140-L188 HydrophobicContact CH2-CG 3.78Å; W140-L188 HydrophobicContact CZ2-CD2 3.87Å; W140-L188 HydrophobicContact CZ2-CG 4.49Å; W140-L188 HydrophobicContact CZ3-CG 4.48Å; W140-M336 HydrophobicContact CB-CB 3.94Å; W140-M336 HydrophobicContact CD2-CB 3.64Å; W140-M336 HydrophobicContact CD2-CE 3.93Å; W140-M336 HydrophobicContact CD2-CG 3.97Å; W140-M336 VanDerWaalsContact CE2-CE 3.45Å; W140-M336 HydrophobicContact CE3-CB 3.67Å; W140-M336 HydrophobicContact CE3-CG 3.83Å; W140-M336 HydrophobicContact CG-CB 3.75Å; W140-M336 HydrophobicContact CG-CE 4.23Å; W140-M336 HydrophobicContact CH2-CE 4.46Å; W140-M336 HydrophobicContact CH2-CG 4.42Å; W140-M336 HydrophobicContact CZ2-CE 3.77Å; W140-M336 HydrophobicContact CZ3-CB 4.39Å; W140-M336 HydrophobicContact CZ3-CG 4.05Å; W140-D337 PolarHBondContact N-OD1 2.78Å; W140-K340 HydrophobicContact CB-CD 4.28Å; W140-Y483 HydrophobicContact CZ2-CE2 4.22Å; W140-Y483 PolarHBondContact NE1-OH 3.42Å
141	L	97.5	Very high	96	Very high	61 Å²	61	72.7 Å²	72.7	32%	0.319	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.4	-37.4	179.1	-178.4	59.4	0	0	0	113.1	S139 P183 K187	S139-L141 PolarHBondContact O-N 3.46Å; L141-P183 HydrophobicContact CD1-CB 3.95Å; L141-P183 WeakPolarHBondContact CD1-O 3.46Å; L141-P183 HydrophobicContact CD2-CB 3.85Å; L141-P183 HydrophobicContact CD2-CG 4.09Å; L141-K187 HydrophobicContact CD1-CB 4.24Å; L141-K187 HydrophobicContact CD1-CD 4.14Å; L141-K187 PolarHBondContact O-NZ 3.3Å
142	Q	96.9	Very high	96.1	Very high	120 Å²	120	73.5 Å²	73.5	56%	0.561	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-77.5	-17.7	-176.8	-73.1	167.2	-46.1	0	0	113.9	S139 W140	S139-Q142 PolarHBondContact O-N 2.93Å; S139-Q142 VanDerWaalsContact OG-CD 3.24Å; S139-Q142 VanDerWaalsContact OG-CG 3.3Å; S139-Q142 WeakPolarHBondContact OG-CG 3.33Å; S139-Q142 PolarHBondContact OG-OE1 3.09Å; W140-Q142 PolarHBondContact O-N 2.9Å
143	D	96.6	Very high	96.3	Very high	47 Å²	47	71.3 Å²	71.3	25%	0.251	37%	0.373	S	S	.	.	S	Bend	trans	-70.4	163.9	178.2	-56.9	-26.9	0	0	0	111	T138 S139 W140 K187 K340	T138-D143 PolarHBondContact OG1-OD1 3.28Å; S139-D143 PolarHBondContact O-N 3.34Å; W140-D143 PolarHBondContact O-N 3.34Å; D143-K187 VanDerWaalsContact C-NZ 3.34Å; D143-K187 PolarHBondContact O-NZ 2.86Å; D143-K340 IonicContact OD1-NZ 2.79Å; D143-K340 PolarHBondContact OD1-NZ 3.14Å; D143-K340 WeakPolarHBondContact OD2-CE 3.32Å; D143-K340 IonicContact OD2-NZ 3.26Å; D143-K340 PolarHBondContact OD2-NZ 3.13Å
144	E	96.6	Very high	96.2	Very high	161 Å²	161	70.3 Å²	70.3	75%	0.752	37%	0.37	S	S	*	.			trans	-77	158.9	171.4	-73.2	-61.4	150.2	0	0	112	E146	E144-E146 PolarHBondContact O-N 3.11Å
145	C	97.1	Very high	96	Very high	32 Å²	32	74 Å²	74	22%	0.216	40%	0.403	C	S	.	.			trans	-72.3	110	168.6	-68.9	0	0	0	0	109.4	C191 F489	C145-C191 HydrophobicContact CB-CB 3.83Å; C145-C191 WeakPolarHBondContact CB-SG 3.14Å; C145-C191 WeakPolarHBondContact SG-CB 3.38Å; C145-C191 CovalentContact SG-SG 2.03Å; C145-C191 PolarHBondContact SG-SG 2.99Å; C145-F489 HydrophobicContact CB-CE2 4.1Å; C145-F489 HydrophobicContact CB-CZ 4.11Å
146	E	96.8	Very high	95.8	Very high	119 Å²	119	69.1 Å²	69.1	56%	0.556	39%	0.393	S	S	*	.			trans	-107.9	145.6	173.9	-70	-178.9	-176.4	0	0	112.3	E144 I148 R346 F489	E144-E146 PolarHBondContact O-N 3.11Å; E146-I148 PolarHBondContact O-N 3.45Å; E146-R346 VanDerWaalsContact CB-NH1 3.29Å; E146-R346 IonicContact OE2-CZ 3.55Å; E146-R346 IonicContact OE2-NH1 3.54Å; E146-R346 PolarHBondContact OE2-NH1 3.5Å; E146-R346 IonicContact OE2-NH2 2.83Å; E146-F489 WeakPolarHBondContact O-CE2 3.38Å
147	E	97.3	Very high	96	Very high	69 Å²	69	67.4 Å²	67.4	32%	0.322	37%	0.366	S	S	.	.			trans	-74.6	120.4	176	-174.6	-178.6	-155	0	0	110.8	R149 F489 R528	E147-R149 HydrophobicContact CG-CG 4.02Å; E147-R149 PolarHBondContact O-N 2.04Å; E147-R149 IonicContact OE2-CZ 3.55Å; E147-R149 IonicContact OE2-NE 3.19Å; E147-R149 PolarHBondContact OE2-NE 3.07Å; E147-R149 VanDerWaalsContact OE2-NE 3.09Å; E147-R149 IonicContact OE2-NH2 3.43Å; E147-F489 HydrophobicContact CB-CD1 3.9Å; E147-F489 HydrophobicContact CB-CD2 4.32Å; E147-F489 HydrophobicContact CB-CE1 4.1Å; E147-F489 HydrophobicContact CB-CG 4.01Å; E147-F489 HydrophobicContact CB-CZ 4.39Å; E147-F489 HydrophobicContact CG-CB 3.96Å; E147-F489 HydrophobicContact CG-CD1 4.14Å; E147-F489 HydrophobicContact CG-CG 4.01Å; E147-R528 VanDerWaalsContact CG-NH2 3.25Å; E147-R528 IonicContact OE1-CZ 3.43Å; E147-R528 IonicContact OE1-NH1 3.63Å; E147-R528 PolarHBondContact OE1-NH1 3.38Å; E147-R528 IonicContact OE1-NH2 3.58Å; E147-R528 PolarHBondContact OE1-NH2 3.32Å
148	I	97.2	Very high	95.8	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.041	38%	0.383	C	S	.	.			trans	-87.6	98.7	172.1	-51.5	163.2	0	0	0	108	E146 S150 R346 Y483 P485 R528	E146-I148 PolarHBondContact O-N 3.45Å; I148-S150 WeakPolarHBondContact CG2-O 3.07Å; I148-R346 HydrophobicContact CD1-CB 4.26Å; I148-R346 HydrophobicContact CD1-CG 4.18Å; I148-R346 HydrophobicContact CG1-CB 4.31Å; I148-R346 HydrophobicContact CG1-CG 4.16Å; I148-R346 HydrophobicContact CG2-CB 4.42Å; I148-Y483 HydrophobicContact CD1-CE1 4.34Å; I148-P485 HydrophobicContact CG2-CB 3.67Å; I148-R528 PolarHBondContact O-NE 3.45Å; I148-R528 PolarHBondContact O-NH2 2.92Å
149	R	94.4	Very high	95.8	Very high	192 Å²	192	69.8 Å²	69.8	73%	0.725	38%	0.38	S	S	*	.			trans	-80.5	-31.3	-177.4	-67.8	-175.7	176.7	178	2.9	113.2	E147	E147-R149 HydrophobicContact CG-CG 4.02Å; E147-R149 PolarHBondContact O-N 2.04Å; E147-R149 IonicContact OE2-CZ 3.55Å; E147-R149 IonicContact OE2-NE 3.19Å; E147-R149 PolarHBondContact OE2-NE 3.07Å; E147-R149 VanDerWaalsContact OE2-NE 3.09Å; E147-R149 IonicContact OE2-NH2 3.43Å
150	S	94.6	Very high	95.8	Very high	72 Å²	72	70.5 Å²	70.5	50%	0.503	38%	0.384	S	S	.	.	S	Bend	trans	-142.3	152.1	176.5	52.6	0	0	0	0	109.3	I148 E152	I148-S150 WeakPolarHBondContact CG2-O 3.07Å; S150-E152 PolarHBondContact O-N 3.39Å
151	P	96.4	Very high	95.8	Very high	64 Å²	64	70.3 Å²	70.3	42%	0.416	38%	0.384	S	S	.	.			trans	-59.6	128.5	176.1	-19.3	30	0	0	0	112	P160 P485	P151-P160 HydrophobicContact CB-CG 3.85Å; P151-P160 HydrophobicContact CG-CG 3.57Å; P151-P485 HydrophobicContact CB-CB 4.09Å; P151-P485 HydrophobicContact CB-CG 3.98Å; P151-P485 HydrophobicContact CG-CB 3.78Å; P151-P485 HydrophobicContact CG-CG 3.89Å
152	E	97.7	Very high	95.9	Very high	90 Å²	90	67.5 Å²	67.5	42%	0.421	37%	0.369	S	S	.	.			trans	-104	79.9	174.5	-69.4	168.5	-144.2	0	0	109	S150 R346 C347	S150-E152 PolarHBondContact O-N 3.39Å; E152-R346 HydrophobicContact CB-CB 3.97Å; E152-R346 PolarHBondContact N-O 3.19Å; E152-R346 IonicContact OE1-CZ 3.02Å; E152-R346 VanDerWaalsContact OE1-CZ 3.25Å; E152-R346 IonicContact OE1-NE 3.8Å; E152-R346 PolarHBondContact OE1-NE 3.44Å; E152-R346 IonicContact OE1-NH2 3.37Å; E152-R346 PolarHBondContact OE1-NH2 3.29Å; E152-R346 VanDerWaalsContact OE2-CD 3.29Å; E152-R346 WeakPolarHBondContact OE2-CD 3.17Å; E152-R346 IonicContact OE2-CZ 3.47Å; E152-R346 IonicContact OE2-NE 3.04Å; E152-R346 PolarHBondContact OE2-NE 3.39Å; E152-C347 WeakPolarHBondContact O-CB 3.33Å
153	C	97.1	Very high	96	Very high	42 Å²	42	61.8 Å²	61.8	28%	0.284	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-102.6	142.9	-174.8	-60.7	0	0	0	0	112.5	F157 C347	C153-F157 HydrophobicContact CB-CB 3.8Å; C153-F157 HydrophobicContact CB-CG 4.36Å; C153-C347 VanDerWaalsContact CA-SG 3.57Å; C153-C347 HydrophobicContact CB-CB 3.86Å; C153-C347 WeakPolarHBondContact CB-SG 3.29Å; C153-C347 VanDerWaalsContact SG-CA 3.59Å; C153-C347 WeakPolarHBondContact SG-CB 3.38Å; C153-C347 CovalentContact SG-SG 2.03Å; C153-C347 PolarHBondContact SG-SG 3Å
154	P	95.1	Very high	96.1	Very high	46 Å²	46	60.1 Å²	60.1	30%	0.299	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-58.3	162.4	166.1	-22.3	34	0	0	0	112.3	F157 K343 L344	P154-F157 HydrophobicContact CB-CD2 4.26Å; P154-F157 HydrophobicContact CB-CE2 4.32Å; P154-F157 HydrophobicContact CG-CE2 4.37Å; P154-F157 WeakPolarHBondContact O-CD2 3.07Å; P154-F157 PolarHBondContact O-N 2.87Å; P154-K343 HydrophobicContact CG-CB 4.49Å; P154-L344 VanDerWaalsContact CD-CD2 3.5Å; P154-L344 HydrophobicContact CG-CD2 3.96Å; P154-L344 HydrophobicContact CG-CG 4.48Å
155	A	93.2	Very high	96.1	Very high	103 Å²	103	53 Å²	53	85%	0.851	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	145	175.6	0	0	0	0	0	112
156	G	91.6	Very high	96.1	Very high	26 Å²	26	51.8 Å²	51.8	27%	0.268	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-4	-178.4	0	0	0	0	0	115.3	E293 R296	G156-E293 WeakPolarHBondContact CA-OE2 3.37Å; G156-R296 PolarHBondContact O-NH2 3.19Å
157	F	94.8	Very high	96.1	Very high	30 Å²	30	46.3 Å²	46.3	13%	0.132	27%	0.267	C	S	.	.			trans	-90.8	106.2	170.8	-75	-95.9	0	0	0	110.4	C153 P154 R159 P161 L289 R296 L344	C153-F157 HydrophobicContact CB-CB 3.8Å; C153-F157 HydrophobicContact CB-CG 4.36Å; P154-F157 HydrophobicContact CB-CD2 4.26Å; P154-F157 HydrophobicContact CB-CE2 4.32Å; P154-F157 HydrophobicContact CG-CE2 4.37Å; P154-F157 WeakPolarHBondContact O-CD2 3.07Å; P154-F157 PolarHBondContact O-N 2.87Å; F157-R159 VanDerWaalsContact C-N 3.27Å; F157-R159 PolarHBondContact O-N 2.78Å; F157-P161 HydrophobicContact CD1-CG 3.66Å; F157-P161 HydrophobicContact CE1-CG 3.56Å; F157-L289 HydrophobicContact CE1-CD2 4.48Å; F157-R296 VanDerWaalsContact CE2-CZ 3.49Å; F157-R296 VanDerWaalsContact CZ-CZ 3.45Å; F157-L344 HydrophobicContact CD2-CD2 4.38Å; F157-L344 HydrophobicContact CE1-CD2 4Å; F157-L344 HydrophobicContact CE2-CD2 3.8Å; F157-L344 HydrophobicContact CZ-CD1 4.12Å; F157-L344 HydrophobicContact CZ-CD2 3.58Å; F157-L344 HydrophobicContact CZ-CG 4.49Å
158	A	91.6	Very high	96.2	Very high	79 Å²	79	43.4 Å²	43.4	65%	0.653	25%	0.254	S	S	*	.	S	Bend	trans	-74.2	-19	179	0	0	0	0	0	113.3	Y298	A158-Y298 PolarHBondContact N-OH 3.29Å; A158-Y298 VanDerWaalsContact N-OH 3.13Å
159	R	94.5	Very high	96.2	Very high	95 Å²	95	43 Å²	43	36%	0.358	25%	0.252	S	S	.	.	S	Bend	trans	-157.9	162.6	176.6	63.5	-170.7	68.9	-170.4	0.5	111.1	F157 P161 Y298 L509	F157-R159 VanDerWaalsContact C-N 3.27Å; F157-R159 PolarHBondContact O-N 2.78Å; R159-P161 WeakPolarHBondContact O-CD 3.45Å; R159-Y298 HydrophobicContact CB-CE1 4.47Å; R159-Y298 HydrophobicContact CG-CD1 3.47Å; R159-Y298 VanDerWaalsContact CG-CD1 3.47Å; R159-Y298 HydrophobicContact CG-CE1 3.41Å; R159-Y298 VanDerWaalsContact CG-CE1 3.41Å; R159-Y298 HydrophobicContact CG-CG 4.36Å; R159-Y298 VanDerWaalsContact O-CE1 3.31Å; R159-Y298 WeakPolarHBondContact O-CE1 3.27Å; R159-L509 PolarHBondContact NH1-O 2.87Å
160	P	97.5	Very high	96.4	Very high	20 Å²	20	33.9 Å²	33.9	13%	0.13	22%	0.218	C	C	.	.			trans	-55.7	123.9	168.9	-30.2	39.8	0	0	0	112.2	P151 C347 N349 P485	P151-P160 HydrophobicContact CB-CG 3.85Å; P151-P160 HydrophobicContact CG-CG 3.57Å; P160-C347 VanDerWaalsContact CB-O 3.26Å; P160-C347 WeakPolarHBondContact CB-O 3.4Å; P160-N349 WeakPolarHBondContact CB-ND2 3.5Å; P160-P485 HydrophobicContact CB-CG 4.32Å; P160-P485 HydrophobicContact CG-CG 4.1Å
161	P	98.3	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	20%	0.199	C	C	.	.			trans	-65.3	150.9	166.5	-18.7	31.3	0	0	0	111.7	F157 R159 L289 Y300 V348 N349	F157-P161 HydrophobicContact CD1-CG 3.66Å; F157-P161 HydrophobicContact CE1-CG 3.56Å; R159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-L289 HydrophobicContact CB-CD2 4.18Å; P161-L289 HydrophobicContact CG-CD2 4.12Å; P161-Y300 HydrophobicContact CB-CD2 4.37Å; P161-Y300 HydrophobicContact CB-CE2 3.96Å; P161-V348 HydrophobicContact CB-CG1 4.18Å; P161-V348 HydrophobicContact CG-CG1 4.1Å; P161-V348 WeakPolarHBondContact O-CA 3.05Å; P161-N349 PolarHBondContact O-N 3.23Å
162	L	98.6	Very high	96.7	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.6	172.7	175.7	61.8	0	0	0	110.5	I164 Y298 Y300 N349 I351 M505 L508 L509	L162-I164 HydrophobicContact CD2-CD1 4.22Å; L162-I164 HydrophobicContact CD2-CG1 4.11Å; L162-I164 HydrophobicContact CG-CG1 4.04Å; L162-Y298 PolarHBondContact N-O 2.66Å; L162-Y300 PolarHBondContact O-N 3Å; L162-N349 CarbonylContact C-O 3.58Å; L162-N349 WeakPolarHBondContact CA-O 3.15Å; L162-N349 HydrophobicContact CD1-CB 4.23Å; L162-I351 HydrophobicContact CD1-CD1 4.04Å; L162-I351 HydrophobicContact CD1-CG1 4.11Å; L162-M505 HydrophobicContact CD2-CB 3.8Å; L162-M505 HydrophobicContact CD2-CG 3.8Å; L162-M505 HydrophobicContact CD2-SD 4.33Å; L162-L508 HydrophobicContact CD1-CD1 3.79Å; L162-L509 HydrophobicContact CB-CD1 4.42Å; L162-L509 HydrophobicContact CB-CD2 3.84Å; L162-L509 HydrophobicContact CB-CG 4.17Å; L162-L509 HydrophobicContact CD2-CD1 3.95Å; L162-L509 HydrophobicContact CD2-CG 4.24Å
163	I	98.7	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121	171.9	-56.6	171.8	0	0	0	109.2	L165 L285 L289 Y300 L335 L339 V348 N349 I350 I351	I163-L165 HydrophobicContact CG2-CD2 3.69Å; I163-L165 HydrophobicContact CG2-CG 3.94Å; I163-L285 HydrophobicContact CD1-CD2 4.05Å; I163-L285 HydrophobicContact CG2-CD1 4.02Å; I163-L289 HydrophobicContact CD1-CD1 4.26Å; I163-Y300 CarbonylContact C-O 3.59Å; I163-Y300 WeakPolarHBondContact CA-O 3.42Å; I163-Y300 HydrophobicContact CG1-CD2 4.32Å; I163-Y300 HydrophobicContact CG1-CG 4.46Å; I163-L335 HydrophobicContact CD1-CD1 4.46Å; I163-L335 HydrophobicContact CG2-CD2 4.31Å; I163-L339 HydrophobicContact CD1-CD1 4.11Å; I163-L339 HydrophobicContact CD1-CD2 4.13Å; I163-V348 HydrophobicContact CD1-CB 4.25Å; I163-V348 HydrophobicContact CD1-CG1 4.3Å; I163-V348 HydrophobicContact CD1-CG2 4.12Å; I163-N349 PolarHBondContact N-O 3.48Å; I163-I350 HydrophobicContact CB-CG1 4.39Å; I163-I350 CarbonylContact O-C 3.56Å; I163-I350 WeakPolarHBondContact O-CA 3.07Å; I163-I351 PolarHBondContact O-N 3.01Å
164	I	98.4	Very high	96.7	Very high	12 Å²	12	23.9 Å²	23.9	6%	0.062	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.2	176.8	-52.3	157.9	0	0	0	107.4	L162 I256 V299 Y300 A301 M302 V353 M505	L162-I164 HydrophobicContact CD2-CD1 4.22Å; L162-I164 HydrophobicContact CD2-CG1 4.11Å; L162-I164 HydrophobicContact CG-CG1 4.04Å; I164-I256 HydrophobicContact CD1-CG2 4.28Å; I164-V299 HydrophobicContact CD1-CG1 4.31Å; I164-Y300 PolarHBondContact N-O 3.29Å; I164-A301 HydrophobicContact CB-CB 4.34Å; I164-A301 HydrophobicContact CD1-CB 4.44Å; I164-A301 CarbonylContact O-C 3.58Å; I164-A301 WeakPolarHBondContact O-CA 3.39Å; I164-M302 PolarHBondContact O-N 3.32Å; I164-V353 HydrophobicContact CG2-CG1 4.23Å; I164-M505 HydrophobicContact CD1-SD 3.34Å; I164-M505 WeakPolarHBondContact CD1-SD 3.37Å; I164-M505 HydrophobicContact CG1-SD 3.82Å
165	L	97.4	Very high	96.8	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.063	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	109.1	176	-57.1	177.9	0	0	0	108.6	I163 M302 L335 I350 I351 L352 V353	I163-L165 HydrophobicContact CG2-CD2 3.69Å; I163-L165 HydrophobicContact CG2-CG 3.94Å; L165-M302 HydrophobicContact CD2-CB 4.03Å; L165-M302 HydrophobicContact CD2-SD 4.43Å; L165-L335 HydrophobicContact CD1-CD2 3.36Å; L165-L335 HydrophobicContact CD2-CD2 4.12Å; L165-L335 HydrophobicContact CG-CD2 4.19Å; L165-I350 HydrophobicContact CD1-CG2 4.19Å; L165-I351 PolarHBondContact N-O 3.17Å; L165-L352 HydrophobicContact CB-CD1 3.64Å; L165-L352 HydrophobicContact CD1-CD1 4.36Å; L165-L352 WeakPolarHBondContact O-CA 3.04Å; L165-V353 PolarHBondContact O-N 3.09Å
166	S	97.2	Very high	96.9	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.049	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	174.3	168.2	0	0	0	0	110.7	L210 M302 H303 S304 V353	S166-L210 WeakPolarHBondContact OG-CD2 3.34Å; S166-M302 PolarHBondContact N-O 3.4Å; S166-H303 CarbonylContact O-C 3.39Å; S166-H303 WeakPolarHBondContact O-CA 3.48Å; S166-H303 PolarHBondContact OG-ND1 2.75Å; S166-S304 PolarHBondContact O-N 2.85Å; S166-V353 CarbonylContact C-O 3.59Å; S166-V353 WeakPolarHBondContact CA-O 3.36Å
167	V	97.4	Very high	97	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.024	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	106.7	174.2	-75	0	0	0	0	110.3	G169 F170 I328 L352 V353 G354 I479	V167-G169 PolarHBondContact O-N 2.94Å; V167-F170 HydrophobicContact CB-CB 4.11Å; V167-F170 HydrophobicContact CB-CD2 4.09Å; V167-F170 HydrophobicContact CG2-CB 3.56Å; V167-F170 HydrophobicContact CG2-CD2 3.73Å; V167-F170 HydrophobicContact CG2-CG 3.89Å; V167-F170 PolarHBondContact O-N 3.08Å; V167-I328 HydrophobicContact CG1-CG2 3.74Å; V167-L352 HydrophobicContact CG1-CD1 4.07Å; V167-L352 HydrophobicContact CG2-CD1 4.27Å; V167-V353 PolarHBondContact N-O 3.34Å; V167-G354 WeakPolarHBondContact O-CA 3.19Å; V167-I479 HydrophobicContact CG2-CD1 3.85Å; V167-I479 HydrophobicContact CG2-CG1 4.29Å
168	D	97.9	Very high	96.9	Very high	7 Å²	7	25.5 Å²	25.5	4%	0.037	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	130.6	-173.9	-155.2	-37.7	0	0	0	111.6	F170 T206 H303 S304 Q306 P307 D308 D355 H356	D168-F170 PolarHBondContact O-N 3.07Å; D168-F170 VanDerWaalsContact O-N 3.15Å; D168-T206 WeakPolarHBondContact OD2-CG2 3.3Å; D168-H303 VanDerWaalsContact CB-CE1 3.49Å; D168-H303 WeakPolarHBondContact CB-CE1 3.19Å; D168-H303 IonicContact OD2-CE1 2.68Å; D168-H303 PolarHBondContact OD2-CE1 2.74Å; D168-H303 IonicContact OD2-NE2 3.92Å; D168-H303 PolarHBondContact OD2-NE2 2.82Å; D168-S304 WeakPolarHBondContact CB-O 3.47Å; D168-S304 PolarHBondContact N-O 3.06Å; D168-Q306 CarbonylContact O-C 3.38Å; D168-P307 WeakPolarHBondContact O-CD 3.42Å; D168-P307 VanDerWaalsContact O-N 3.08Å; D168-D308 HydrophobicContact CB-CB 3.67Å; D168-D308 WeakPolarHBondContact O-CB 3.36Å; D168-D308 PolarHBondContact O-N 2.88Å; D168-D308 VanDerWaalsContact OD1-CB 3.26Å; D168-D308 WeakPolarHBondContact OD1-CB 3.22Å; D168-D355 WeakPolarHBondContact CA-OD1 3.12Å; D168-H356 IonicContact OD1-CE1 3.8Å; D168-H356 PolarHBondContact OD1-CE1 2.8Å; D168-H356 IonicContact OD1-NE2 2.77Å; D168-H356 PolarHBondContact OD1-NE2 3.22Å
169	G	98.3	Very high	97.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	19.9	174	0	0	0	0	0	114.5	V167 R171 D355 H356	V167-G169 PolarHBondContact O-N 2.94Å; G169-R171 VanDerWaalsContact C-N 3.33Å; G169-R171 PolarHBondContact O-N 3.49Å; G169-D355 PolarHBondContact N-OD1 3.44Å; G169-H356 CarbonylContact C-O 3.4Å; G169-H356 WeakPolarHBondContact CA-O 3.47Å
170	F	98.5	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.			trans	-73.8	86.3	175.7	-157.3	-61.4	0	0	0	110.7	V167 D168 A172 Y174 V175 I185 P307 L325 H356 T478 I479	V167-F170 HydrophobicContact CB-CB 4.11Å; V167-F170 HydrophobicContact CB-CD2 4.09Å; V167-F170 HydrophobicContact CG2-CB 3.56Å; V167-F170 HydrophobicContact CG2-CD2 3.73Å; V167-F170 HydrophobicContact CG2-CG 3.89Å; V167-F170 PolarHBondContact O-N 3.08Å; D168-F170 PolarHBondContact O-N 3.07Å; D168-F170 VanDerWaalsContact O-N 3.15Å; F170-A172 PolarHBondContact O-N 3.3Å; F170-Y174 HydrophobicContact CD1-CD2 4.1Å; F170-Y174 HydrophobicContact CE1-CD2 4.35Å; F170-Y174 HydrophobicContact CE1-CG 4.49Å; F170-Y174 HydrophobicContact CG-CD2 4.4Å; F170-V175 HydrophobicContact CE1-CG1 4.09Å; F170-I185 HydrophobicContact CE2-CD1 4.16Å; F170-P307 HydrophobicContact CB-CG 4.22Å; F170-P307 HydrophobicContact CD2-CG 4.14Å; F170-P307 HydrophobicContact CG-CG 4.36Å; F170-L325 HydrophobicContact CD2-CD2 4.13Å; F170-L325 HydrophobicContact CE2-CD2 3.59Å; F170-L325 HydrophobicContact CZ-CD2 4Å; F170-H356 CarbonylContact C-O 3.57Å; F170-H356 PolarHBondContact N-O 3.43Å; F170-T478 PolarHBondContact O-OG1 2.93Å; F170-I479 HydrophobicContact CB-CD1 4.4Å; F170-I479 HydrophobicContact CB-CG1 4.28Å; F170-I479 HydrophobicContact CD1-CB 4.33Å; F170-I479 HydrophobicContact CD1-CD1 3.72Å; F170-I479 HydrophobicContact CD1-CG1 3.91Å; F170-I479 HydrophobicContact CD1-CG2 3.51Å; F170-I479 HydrophobicContact CD2-CD1 4.2Å; F170-I479 HydrophobicContact CE1-CD1 3.95Å; F170-I479 HydrophobicContact CE1-CG1 4.49Å; F170-I479 HydrophobicContact CE1-CG2 3.72Å; F170-I479 HydrophobicContact CE2-CD1 4.42Å; F170-I479 HydrophobicContact CG-CD1 3.85Å; F170-I479 HydrophobicContact CG-CG1 4.14Å; F170-I479 HydrophobicContact CZ-CD1 4.3Å
171	R	98.4	Very high	97.2	Very high	28 Å²	28	25.2 Å²	25.2	11%	0.106	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-54.9	134.2	174	-177.8	179.1	170	161.1	-5.3	111.4	G169 S173 Y174 M358	G169-R171 VanDerWaalsContact C-N 3.33Å; G169-R171 PolarHBondContact O-N 3.49Å; R171-S173 WeakPolarHBondContact CD-OG 3.41Å; R171-S173 PolarHBondContact NE-OG 2.8Å; R171-S173 PolarHBondContact O-N 2.96Å; R171-S173 VanDerWaalsContact O-N 3.12Å; R171-Y174 HydrophobicContact CB-CD1 4.06Å; R171-Y174 HydrophobicContact CB-CD2 3.95Å; R171-Y174 HydrophobicContact CB-CE1 3.83Å; R171-Y174 HydrophobicContact CB-CE2 3.69Å; R171-Y174 HydrophobicContact CB-CG 4.12Å; R171-Y174 HydrophobicContact CG-CE1 4.44Å; R171-Y174 VanDerWaalsContact O-CB 3.28Å; R171-Y174 WeakPolarHBondContact O-CB 3.28Å; R171-Y174 PolarHBondContact O-N 3.01Å; R171-M358 WeakPolarHBondContact CD-O 3.43Å; R171-M358 PolarHBondContact NH1-O 2.98Å
172	A	98.3	Very high	97.2	Very high	2 Å²	2	25.1 Å²	25.1	2%	0.017	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-50.3	-42.9	-177.5	0	0	0	0	0	113.1	F170 Y174 V175 Q477 I865	F170-A172 PolarHBondContact O-N 3.3Å; A172-Y174 PolarHBondContact O-N 3.23Å; A172-Y174 VanDerWaalsContact O-N 3.12Å; A172-V175 VanDerWaalsContact O-CG2 3.23Å; A172-V175 WeakPolarHBondContact O-CG2 3.43Å; A172-V175 PolarHBondContact O-N 3.05Å; A172-Q477 HydrophobicContact CB-CB 4.17Å; A172-Q477 PolarHBondContact N-O 2.94Å; A172-I865 HydrophobicContact CB-CG2 4.39Å
173	S	97.3	Very high	97.2	Very high	22 Å²	22	26.9 Å²	26.9	15%	0.154	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-66.5	-12.7	-178.8	64.1	0	0	0	0	114.6	R171 V175 K176	R171-S173 WeakPolarHBondContact CD-OG 3.41Å; R171-S173 PolarHBondContact NE-OG 2.8Å; R171-S173 PolarHBondContact O-N 2.96Å; R171-S173 VanDerWaalsContact O-N 3.12Å; S173-V175 PolarHBondContact O-N 3.33Å; S173-K176 VanDerWaalsContact O-CB 3.28Å; S173-K176 WeakPolarHBondContact O-CB 3.4Å; S173-K176 WeakPolarHBondContact O-CG 3.32Å; S173-K176 PolarHBondContact O-N 3.1Å; S173-K176 VanDerWaalsContact O-N 3.09Å
174	Y	97.9	Very high	97.2	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.3	175.7	-64.5	-15.8	0	0	0	112.7	F170 R171 A172 K176 R177 P307 P316 L321 L325	F170-Y174 HydrophobicContact CD1-CD2 4.1Å; F170-Y174 HydrophobicContact CE1-CD2 4.35Å; F170-Y174 HydrophobicContact CE1-CG 4.49Å; F170-Y174 HydrophobicContact CG-CD2 4.4Å; R171-Y174 HydrophobicContact CB-CD1 4.06Å; R171-Y174 HydrophobicContact CB-CD2 3.95Å; R171-Y174 HydrophobicContact CB-CE1 3.83Å; R171-Y174 HydrophobicContact CB-CE2 3.69Å; R171-Y174 HydrophobicContact CB-CG 4.12Å; R171-Y174 HydrophobicContact CG-CE1 4.44Å; R171-Y174 VanDerWaalsContact O-CB 3.28Å; R171-Y174 WeakPolarHBondContact O-CB 3.28Å; R171-Y174 PolarHBondContact O-N 3.01Å; A172-Y174 PolarHBondContact O-N 3.23Å; A172-Y174 VanDerWaalsContact O-N 3.12Å; Y174-K176 PolarHBondContact O-N 2.97Å; Y174-R177 VanDerWaalsContact CG-NH1 3.32Å; Y174-R177 WeakPolarHBondContact O-CB 3.44Å; Y174-R177 PolarHBondContact O-N 3.4Å; Y174-R177 VanDerWaalsContact O-N 3.1Å; Y174-P307 HydrophobicContact CD2-CG 4.21Å; Y174-P307 HydrophobicContact CE2-CG 3.99Å; Y174-P316 HydrophobicContact CE1-CB 4.1Å; Y174-P316 VanDerWaalsContact CE1-O 3.3Å; Y174-P316 WeakPolarHBondContact CE1-O 3.38Å; Y174-P316 VanDerWaalsContact OH-CA 3.24Å; Y174-P316 WeakPolarHBondContact OH-CA 3.15Å; Y174-P316 WeakPolarHBondContact OH-CB 3.04Å; Y174-L321 HydrophobicContact CD1-CD2 4.48Å; Y174-L321 HydrophobicContact CD2-CD2 4.5Å; Y174-L321 HydrophobicContact CE1-CD2 3.75Å; Y174-L321 HydrophobicContact CE2-CD2 3.79Å; Y174-L321 WeakPolarHBondContact OH-CD2 3.42Å; Y174-L325 HydrophobicContact CD2-CD2 4.31Å; Y174-L325 HydrophobicContact CG-CD1 4.42Å
175	V	96.2	Very high	97.2	Very high	31 Å²	31	27 Å²	27	19%	0.188	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-61.4	-24.5	174	-53.9	0	0	0	0	112.4	F170 A172 S173 R177 G178 I479	F170-V175 HydrophobicContact CE1-CG1 4.09Å; A172-V175 VanDerWaalsContact O-CG2 3.23Å; A172-V175 WeakPolarHBondContact O-CG2 3.43Å; A172-V175 PolarHBondContact O-N 3.05Å; S173-V175 PolarHBondContact O-N 3.33Å; V175-R177 PolarHBondContact O-N 2.03Å; V175-G178 PolarHBondContact O-N 3.46Å; V175-I479 HydrophobicContact CG1-CG2 3.66Å
176	K	95.5	Very high	97.2	Very high	140 Å²	140	28 Å²	28	61%	0.609	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-66.8	-14.2	177.3	-62.7	-175.9	171.7	-176.5	0	113.6	S173 Y174 G178 I865	S173-K176 VanDerWaalsContact O-CB 3.28Å; S173-K176 WeakPolarHBondContact O-CB 3.4Å; S173-K176 WeakPolarHBondContact O-CG 3.32Å; S173-K176 PolarHBondContact O-N 3.1Å; S173-K176 VanDerWaalsContact O-N 3.09Å; Y174-K176 PolarHBondContact O-N 2.97Å; K176-G178 PolarHBondContact O-N 2.03Å; K176-I865 VanDerWaalsContact CE-O 3.22Å; K176-I865 WeakPolarHBondContact CE-O 3.45Å; K176-I865 WeakPolarHBondContact CE-OXT 3.34Å; K176-I865 PolarHBondContact NZ-O 3.36Å; K176-I865 PolarHBondContact NZ-OXT 3.38Å
177	R	94.2	Very high	97.3	Very high	51 Å²	51	28.6 Å²	28.6	19%	0.192	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.4	170.3	-71	177.7	167.8	108.2	1.4	112.2	Y174 V175 S180 I181 P316 S318 N322	Y174-R177 VanDerWaalsContact CG-NH1 3.32Å; Y174-R177 WeakPolarHBondContact O-CB 3.44Å; Y174-R177 PolarHBondContact O-N 3.4Å; Y174-R177 VanDerWaalsContact O-N 3.1Å; V175-R177 PolarHBondContact O-N 2.03Å; R177-S180 PolarHBondContact O-OG 3.46Å; R177-I181 HydrophobicContact CB-CB 4Å; R177-I181 HydrophobicContact CB-CG1 3.94Å; R177-I181 HydrophobicContact CB-CG2 4.45Å; R177-P316 PolarHBondContact NH2-O 3.2Å; R177-S318 PolarHBondContact NH2-O 2.79Å; R177-N322 VanDerWaalsContact CD-OD1 3.28Å; R177-N322 WeakPolarHBondContact CD-OD1 3.45Å; R177-N322 PolarHBondContact NE-OD1 2.88Å
178	G	93.3	Very high	97.4	Very high	18 Å²	18	28.5 Å²	28.5	19%	0.186	16%	0.161	C	C	.	.			trans	69.2	-172	168.8	0	0	0	0	0	114.9	V175 K176 S180 I181 I182	V175-G178 PolarHBondContact O-N 3.46Å; K176-G178 PolarHBondContact O-N 2.03Å; G178-S180 PolarHBondContact O-N 2.04Å; G178-S180 VanDerWaalsContact O-N 3.11Å; G178-I181 PolarHBondContact O-N 3.5Å; G178-I181 VanDerWaalsContact O-N 3.12Å; G178-I182 WeakPolarHBondContact O-CG1 3.47Å; G178-I182 PolarHBondContact O-N 2.62Å
179	S	95.5	Very high	97.4	Very high	81 Å²	81	30.9 Å²	30.9	57%	0.566	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.6	-173.9	55.3	0	0	0	0	114.8	I181 P183	S179-I181 VanDerWaalsContact C-N 3.29Å; S179-I181 PolarHBondContact O-N 3.41Å; S179-P183 VanDerWaalsContact O-CB 3.29Å; S179-P183 WeakPolarHBondContact O-CB 3.42Å; S179-P183 VanDerWaalsContact O-CD 3.29Å; S179-P183 WeakPolarHBondContact O-CD 3.31Å
180	S	96.4	Very high	97.3	Very high	93 Å²	93	33.4 Å²	33.4	65%	0.65	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.8	175.1	62.8	0	0	0	0	113.2	R177 G178	R177-S180 PolarHBondContact O-OG 3.46Å; G178-S180 PolarHBondContact O-N 2.04Å; G178-S180 VanDerWaalsContact O-N 3.11Å
181	I	97.7	Very high	97.3	Very high	13 Å²	13	33.5 Å²	33.5	7%	0.067	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-40	179.7	-53.7	-57.2	0	0	0	111.4	R177 G178 S179 P183 N322 L325 R326	R177-I181 HydrophobicContact CB-CB 4Å; R177-I181 HydrophobicContact CB-CG1 3.94Å; R177-I181 HydrophobicContact CB-CG2 4.45Å; G178-I181 PolarHBondContact O-N 3.5Å; G178-I181 VanDerWaalsContact O-N 3.12Å; S179-I181 VanDerWaalsContact C-N 3.29Å; S179-I181 PolarHBondContact O-N 3.41Å; I181-P183 VanDerWaalsContact C-CD 3.44Å; I181-N322 HydrophobicContact CD1-CB 4.18Å; I181-N322 HydrophobicContact CG2-CB 4.27Å; I181-L325 HydrophobicContact CG2-CB 3.93Å; I181-R326 HydrophobicContact CG2-CG 4.06Å; I181-R326 WeakPolarHBondContact O-CG 3.29Å
182	I	98	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.			trans	-129.9	57	-173.2	54	164	0	0	0	112.5	G178 N184 I185 E186 L325 D329	G178-I182 WeakPolarHBondContact O-CG1 3.47Å; G178-I182 PolarHBondContact O-N 2.62Å; I182-N184 PolarHBondContact O-N 3.31Å; I182-I185 HydrophobicContact CB-CB 4.21Å; I182-I185 HydrophobicContact CB-CD1 4.37Å; I182-I185 HydrophobicContact CD1-CG2 4.32Å; I182-I185 HydrophobicContact CG2-CD1 4.31Å; I182-I185 PolarHBondContact O-N 3.2Å; I182-E186 WeakPolarHBondContact O-CB 3.45Å; I182-E186 PolarHBondContact O-N 2.98Å; I182-L325 HydrophobicContact CG2-CB 3.99Å; I182-D329 VanDerWaalsContact C-CG 3.47Å; I182-D329 VanDerWaalsContact CA-CG 3.49Å; I182-D329 VanDerWaalsContact CA-OD1 3.25Å; I182-D329 WeakPolarHBondContact CA-OD1 3.15Å; I182-D329 HydrophobicContact CB-CB 4.3Å; I182-D329 HydrophobicContact CG2-CB 4.21Å
183	P	98.5	Very high	97.3	Very high	37 Å²	37	32.2 Å²	32.2	24%	0.24	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-38.7	-173.3	22.6	-32.7	0	0	0	115	L141 S179 I181 K187 D329	L141-P183 HydrophobicContact CD1-CB 3.95Å; L141-P183 WeakPolarHBondContact CD1-O 3.46Å; L141-P183 HydrophobicContact CD2-CB 3.85Å; L141-P183 HydrophobicContact CD2-CG 4.09Å; S179-P183 VanDerWaalsContact O-CB 3.29Å; S179-P183 WeakPolarHBondContact O-CB 3.42Å; S179-P183 VanDerWaalsContact O-CD 3.29Å; S179-P183 WeakPolarHBondContact O-CD 3.31Å; I181-P183 VanDerWaalsContact C-CD 3.44Å; P183-K187 WeakPolarHBondContact O-CB 3.45Å; P183-K187 PolarHBondContact O-N 3.45Å; P183-D329 WeakPolarHBondContact CD-OD2 3.44Å; P183-D329 WeakPolarHBondContact CG-OD2 3.03Å
184	N	98.6	Very high	97.4	Very high	13 Å²	13	32.2 Å²	32.2	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-70.6	-44.9	179.9	-67	-79	0	0	0	111.7	W140 I182 E186 K187 L188 D329 V332 G333	W140-N184 HydrophobicContact CZ3-CB 4.32Å; I182-N184 PolarHBondContact O-N 3.31Å; N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.26Å; N184-K187 PolarHBondContact O-N 2.89Å; N184-L188 PolarHBondContact O-N 2.99Å; N184-D329 WeakPolarHBondContact CA-OD1 3.38Å; N184-D329 WeakPolarHBondContact CB-OD1 3.48Å; N184-D329 PolarHBondContact N-OD1 3.15Å; N184-D329 PolarHBondContact N-OD2 3.19Å; N184-D329 VanDerWaalsContact N-OD2 3.16Å; N184-D329 PolarHBondContact ND2-O 3.48Å; N184-D329 PolarHBondContact ND2-OD2 3.45Å; N184-V332 HydrophobicContact CB-CB 4.4Å; N184-V332 HydrophobicContact CB-CG1 4.08Å; N184-G333 VanDerWaalsContact CG-CA 3.5Å; N184-G333 WeakPolarHBondContact OD1-CA 3.46Å
185	I	98.6	Very high	97.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-41.3	176.6	-64.6	169.2	0	0	0	110	F170 I182 K187 L188 R189 I328 D329 V332 L352 L481	F170-I185 HydrophobicContact CE2-CD1 4.16Å; I182-I185 HydrophobicContact CB-CB 4.21Å; I182-I185 HydrophobicContact CB-CD1 4.37Å; I182-I185 HydrophobicContact CD1-CG2 4.32Å; I182-I185 HydrophobicContact CG2-CD1 4.31Å; I182-I185 PolarHBondContact O-N 3.2Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3.37Å; I185-L188 PolarHBondContact O-N 3.44Å; I185-R189 WeakPolarHBondContact O-CB 3.4Å; I185-R189 PolarHBondContact O-N 3.15Å; I185-I328 HydrophobicContact CD1-CG2 4.3Å; I185-D329 HydrophobicContact CD1-CB 4.26Å; I185-D329 WeakPolarHBondContact CG1-OD1 3.34Å; I185-D329 PolarHBondContact N-OD1 3.44Å; I185-V332 HydrophobicContact CD1-CG2 4.32Å; I185-V332 HydrophobicContact CG1-CB 4.28Å; I185-V332 HydrophobicContact CG1-CG1 4.31Å; I185-V332 HydrophobicContact CG1-CG2 3.97Å; I185-L352 HydrophobicContact CB-CD2 4.4Å; I185-L352 HydrophobicContact CD1-CD2 4.36Å; I185-L352 HydrophobicContact CG1-CD2 3.89Å; I185-L352 HydrophobicContact CG2-CD2 3.87Å; I185-L481 HydrophobicContact CG2-CD1 3.75Å
186	E	98.4	Very high	97.5	Very high	34 Å²	34	33.2 Å²	33.2	16%	0.159	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-37.5	176.5	-179.1	59.7	-169.8	0	0	111.7	I182 N184 R189 T190	I182-E186 WeakPolarHBondContact O-CB 3.45Å; I182-E186 PolarHBondContact O-N 2.98Å; N184-E186 VanDerWaalsContact C-N 3.31Å; N184-E186 PolarHBondContact O-N 3.26Å; E186-R189 PolarHBondContact O-N 3.25Å; E186-R189 IonicContact OE1-CZ 3.17Å; E186-R189 IonicContact OE1-NE 3.56Å; E186-R189 PolarHBondContact OE1-NE 2.83Å; E186-R189 IonicContact OE1-NH2 2.79Å; E186-R189 PolarHBondContact OE1-NH2 2.73Å; E186-R189 IonicContact OE2-CZ 3.86Å; E186-R189 IonicContact OE2-NE 2.7Å; E186-R189 PolarHBondContact OE2-NE 3.04Å; E186-R189 IonicContact OE2-NH2 2.78Å; E186-T190 HydrophobicContact CG-CG2 4.45Å; E186-T190 WeakPolarHBondContact O-CB 3.46Å; E186-T190 WeakPolarHBondContact O-CG2 3.41Å; E186-T190 PolarHBondContact O-N 3.06Å; E186-T190 PolarHBondContact O-OG1 3.03Å; E186-T190 WeakPolarHBondContact OE1-CG2 3.29Å
187	K	98.6	Very high	97.6	Very high	19 Å²	19	28.5 Å²	28.5	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-42.8	173	-172.9	173	176.4	174.4	0	112	W140 L141 D143 P183 N184 I185 R189 T190 C191	W140-K187 HydrophobicContact CD2-CD 4.39Å; W140-K187 HydrophobicContact CE3-CD 4.05Å; W140-K187 HydrophobicContact CH2-CB 3.64Å; W140-K187 HydrophobicContact CH2-CD 3.62Å; W140-K187 HydrophobicContact CH2-CG 3.46Å; W140-K187 VanDerWaalsContact CH2-CG 3.46Å; W140-K187 HydrophobicContact CZ2-CD 3.96Å; W140-K187 HydrophobicContact CZ2-CG 3.97Å; W140-K187 HydrophobicContact CZ3-CB 3.82Å; W140-K187 HydrophobicContact CZ3-CD 3.67Å; W140-K187 HydrophobicContact CZ3-CG 3.89Å; W140-K187 PolarHBondContact O-NZ 3.36Å; L141-K187 HydrophobicContact CD1-CB 4.24Å; L141-K187 HydrophobicContact CD1-CD 4.14Å; L141-K187 PolarHBondContact O-NZ 3.3Å; D143-K187 VanDerWaalsContact C-NZ 3.34Å; D143-K187 PolarHBondContact O-NZ 2.86Å; P183-K187 WeakPolarHBondContact O-CB 3.45Å; P183-K187 PolarHBondContact O-N 3.45Å; N184-K187 PolarHBondContact O-N 2.89Å; I185-K187 VanDerWaalsContact C-N 3.3Å; I185-K187 PolarHBondContact O-N 3.37Å; K187-R189 VanDerWaalsContact C-N 3.32Å; K187-R189 PolarHBondContact O-N 3.02Å; K187-T190 PolarHBondContact O-N 3.03Å; K187-T190 PolarHBondContact O-OG1 2.67Å; K187-C191 WeakPolarHBondContact CG-SG 3.37Å; K187-C191 VanDerWaalsContact O-CB 3.31Å; K187-C191 WeakPolarHBondContact O-CB 3.38Å; K187-C191 PolarHBondContact O-N 3.04Å; K187-C191 PolarHBondContact O-SG 3.26Å
188	L	98.4	Very high	97.8	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-44.2	173.3	-70.5	174.7	0	0	0	111.3	W140 N184 I185 G192 V332 M336 L481 Y483	W140-L188 HydrophobicContact CH2-CD2 3.65Å; W140-L188 HydrophobicContact CH2-CG 3.78Å; W140-L188 HydrophobicContact CZ2-CD2 3.87Å; W140-L188 HydrophobicContact CZ2-CG 4.49Å; W140-L188 HydrophobicContact CZ3-CG 4.48Å; N184-L188 PolarHBondContact O-N 2.99Å; I185-L188 PolarHBondContact O-N 3.44Å; L188-G192 WeakPolarHBondContact O-CA 3.28Å; L188-G192 PolarHBondContact O-N 3.4Å; L188-V332 HydrophobicContact CD1-CG1 3.55Å; L188-M336 HydrophobicContact CD2-CE 4.2Å; L188-M336 HydrophobicContact CD2-SD 4.18Å; L188-L481 HydrophobicContact CB-CD1 4.21Å; L188-Y483 HydrophobicContact CD2-CD1 3.87Å; L188-Y483 HydrophobicContact CD2-CD2 3.95Å; L188-Y483 HydrophobicContact CD2-CE1 4.46Å; L188-Y483 HydrophobicContact CD2-CG 3.58Å
189	R	97.8	Very high	98.1	Very high	57 Å²	57	25.4 Å²	25.4	22%	0.215	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-45.6	179.1	-172.7	-166.9	74.6	73.7	-1.5	112.4	I185 E186 K187 H194 L481	I185-R189 WeakPolarHBondContact O-CB 3.4Å; I185-R189 PolarHBondContact O-N 3.15Å; E186-R189 PolarHBondContact O-N 3.25Å; E186-R189 IonicContact OE1-CZ 3.17Å; E186-R189 IonicContact OE1-NE 3.56Å; E186-R189 PolarHBondContact OE1-NE 2.83Å; E186-R189 IonicContact OE1-NH2 2.79Å; E186-R189 PolarHBondContact OE1-NH2 2.73Å; E186-R189 IonicContact OE2-CZ 3.86Å; E186-R189 IonicContact OE2-NE 2.7Å; E186-R189 PolarHBondContact OE2-NE 3.04Å; E186-R189 IonicContact OE2-NH2 2.78Å; K187-R189 VanDerWaalsContact C-N 3.32Å; K187-R189 PolarHBondContact O-N 3.02Å; R189-H194 HydrophobicContact CG-CB 3.77Å; R189-H194 PolarHBondContact NH1-CE1 2.75Å; R189-H194 VanDerWaalsContact NH1-CE1 3.28Å; R189-H194 PolarHBondContact NH1-NE2 2.98Å; R189-H194 PolarHBondContact O-ND1 3.37Å; R189-L481 HydrophobicContact CB-CD1 4.02Å; R189-L481 HydrophobicContact CB-CD2 3.67Å; R189-L481 HydrophobicContact CG-CD2 3.58Å
190	T	97.6	Very high	98.3	Very high	53 Å²	53	21.6 Å²	21.6	33%	0.325	12%	0.121	S	C	.	.	H	α-helix	trans	-81.2	-36.9	-174.7	52.4	0	0	0	0	113	E186 K187 K490	E186-T190 HydrophobicContact CG-CG2 4.45Å; E186-T190 WeakPolarHBondContact O-CB 3.46Å; E186-T190 WeakPolarHBondContact O-CG2 3.41Å; E186-T190 PolarHBondContact O-N 3.06Å; E186-T190 PolarHBondContact O-OG1 3.03Å; E186-T190 WeakPolarHBondContact OE1-CG2 3.29Å; K187-T190 PolarHBondContact O-N 3.03Å; K187-T190 PolarHBondContact O-OG1 2.67Å; T190-K490 WeakPolarHBondContact O-CG 3.42Å
191	C	98.4	Very high	98.4	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-79.2	-30.7	176.2	-51.4	0	0	0	0	112.6	C145 K187 Y483 F489 K490	C145-C191 HydrophobicContact CB-CB 3.83Å; C145-C191 WeakPolarHBondContact CB-SG 3.14Å; C145-C191 WeakPolarHBondContact SG-CB 3.38Å; C145-C191 CovalentContact SG-SG 2.03Å; C145-C191 PolarHBondContact SG-SG 2.99Å; K187-C191 WeakPolarHBondContact CG-SG 3.37Å; K187-C191 VanDerWaalsContact O-CB 3.31Å; K187-C191 WeakPolarHBondContact O-CB 3.38Å; K187-C191 PolarHBondContact O-N 3.04Å; K187-C191 PolarHBondContact O-SG 3.26Å; C191-Y483 HydrophobicContact CB-CD2 4.39Å; C191-Y483 HydrophobicContact CB-CE2 3.99Å; C191-F489 HydrophobicContact CB-CE2 4.45Å; C191-F489 WeakPolarHBondContact O-CD2 3.5Å; C191-K490 PolarHBondContact O-N 2.83Å
192	G	98.5	Very high	98.4	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.031	9%	0.089	C	C	.	.	S	Bend	trans	-93.7	-152.4	-174.5	0	0	0	0	0	115	L188 G482 K488 K490 T491	L188-G192 WeakPolarHBondContact O-CA 3.28Å; L188-G192 PolarHBondContact O-N 3.4Å; G192-G482 WeakPolarHBondContact CA-O 3.2Å; G192-K488 CarbonylContact C-O 3.21Å; G192-K490 WeakPolarHBondContact O-CA 3.44Å; G192-K490 PolarHBondContact O-N 3.05Å; G192-T491 PolarHBondContact O-N 3.36Å
193	T	98.8	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	170.2	-65.4	0	0	0	0	109.6	G482 K488 T491 V493 L526	T193-G482 PolarHBondContact N-O 3Å; T193-G482 PolarHBondContact O-N 2.76Å; T193-K488 PolarHBondContact N-O 3.2Å; T193-K488 WeakPolarHBondContact OG1-CA 3.1Å; T193-K488 PolarHBondContact OG1-N 2.9Å; T193-K488 VanDerWaalsContact OG1-N 3.15Å; T193-K488 PolarHBondContact OG1-O 3.11Å; T193-T491 CarbonylContact C-O 3.57Å; T193-T491 VanDerWaalsContact CA-O 3.25Å; T193-T491 WeakPolarHBondContact CA-O 3.44Å; T193-V493 HydrophobicContact CG2-CG1 3.78Å; T193-V493 HydrophobicContact CG2-CG2 4.32Å; T193-L526 HydrophobicContact CG2-CB 4.2Å; T193-L526 HydrophobicContact CG2-CG 4Å
194	H	98.7	Very high	98.5	Very high	22 Å²	22	15 Å²	15	10%	0.102	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.9	177.2	72.4	-80.7	0	0	0	112.5	R189 L481 T491 K492 V493	R189-H194 HydrophobicContact CG-CB 3.77Å; R189-H194 PolarHBondContact NH1-CE1 2.75Å; R189-H194 VanDerWaalsContact NH1-CE1 3.28Å; R189-H194 PolarHBondContact NH1-NE2 2.98Å; R189-H194 PolarHBondContact O-ND1 3.37Å; H194-L481 HydrophobicContact CB-CD2 3.57Å; H194-T491 PolarHBondContact N-O 3.43Å; H194-K492 CarbonylContact O-C 3.56Å; H194-K492 WeakPolarHBondContact O-CA 3.35Å; H194-V493 WeakPolarHBondContact O-CG2 3.23Å; H194-V493 PolarHBondContact O-N 2.94Å
195	A	98.1	Very high	98.5	Very high	7 Å²	7	15.9 Å²	15.9	6%	0.058	8%	0.08	C	C	.	.			trans	-95.5	153.5	165.9	0	0	0	0	0	109.8	Y197 F480 V493 F496	A195-Y197 WeakPolarHBondContact CB-O 3Å; A195-Y197 PolarHBondContact O-N 3.17Å; A195-F480 HydrophobicContact CB-CD1 4.49Å; A195-F480 PolarHBondContact N-O 3.23Å; A195-V493 HydrophobicContact CB-CG2 4.01Å; A195-F496 HydrophobicContact CB-CD1 4.2Å; A195-F496 HydrophobicContact CB-CE1 3.9Å
196	P	97.2	Very high	98.4	Very high	50 Å²	50	16.3 Å²	16.3	33%	0.325	8%	0.083	S	C	.	.	S	Bend	trans	-59.1	-32.5	169.5	26	-34.2	0	0	0	111.4	V493 A495	P196-V493 WeakPolarHBondContact CD-O 3.41Å; P196-A495 HydrophobicContact CG-CB 4.49Å
197	Y	98.5	Very high	98.3	Very high	41 Å²	41	15.1 Å²	15.1	16%	0.161	8%	0.077	C	C	.	.			trans	-163.8	161	171.2	57.5	-91.9	0	0	0	109.8	A195 Q477 T478 A495 I865	A195-Y197 WeakPolarHBondContact CB-O 3Å; A195-Y197 PolarHBondContact O-N 3.17Å; Y197-Q477 HydrophobicContact CD2-CB 3.95Å; Y197-Q477 HydrophobicContact CD2-CG 3.79Å; Y197-Q477 HydrophobicContact CE2-CG 4.26Å; Y197-Q477 HydrophobicContact CG-CB 4.06Å; Y197-Q477 HydrophobicContact CG-CG 4.2Å; Y197-T478 CarbonylContact C-O 3.58Å; Y197-T478 WeakPolarHBondContact CA-O 3.34Å; Y197-A495 HydrophobicContact CD1-CB 4.33Å; Y197-A495 HydrophobicContact CD2-CB 3.63Å; Y197-A495 HydrophobicContact CE1-CB 4.01Å; Y197-A495 HydrophobicContact CE2-CB 3.24Å; Y197-A495 HydrophobicContact CG-CB 4.16Å; Y197-A495 VanDerWaalsContact CZ-CB 3.45Å; Y197-A495 WeakPolarHBondContact O-CA 3.37Å; Y197-A495 WeakPolarHBondContact O-CB 3.36Å; Y197-I865 HydrophobicContact CD1-CB 4.46Å; Y197-I865 HydrophobicContact CD1-CD1 3.46Å; Y197-I865 VanDerWaalsContact CD1-CD1 3.46Å; Y197-I865 HydrophobicContact CD1-CG1 4.19Å; Y197-I865 HydrophobicContact CD2-CD1 4.22Å; Y197-I865 HydrophobicContact CE1-CD1 3.86Å; Y197-I865 HydrophobicContact CE1-CG1 4.35Å; Y197-I865 HydrophobicContact CG-CD1 3.67Å
198	M	98.8	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139	168.8	-173.6	-177.6	66.5	0	0	108.9	V353 G354 T478 F480 F496 N498 L501	M198-V353 HydrophobicContact CE-CG2 3.28Å; M198-V353 HydrophobicContact SD-CG2 4.02Å; M198-G354 VanDerWaalsContact CE-O 3.27Å; M198-G354 WeakPolarHBondContact CE-O 3.31Å; M198-T478 HydrophobicContact CB-CG2 4.24Å; M198-T478 HydrophobicContact CE-CG2 3.55Å; M198-T478 PolarHBondContact N-O 3.43Å; M198-T478 PolarHBondContact O-N 2.97Å; M198-F480 HydrophobicContact CB-CB 3.99Å; M198-F480 HydrophobicContact SD-CB 4.11Å; M198-F496 HydrophobicContact CG-CD2 4.23Å; M198-F496 HydrophobicContact CG-CE2 3.91Å; M198-F496 HydrophobicContact CG-CZ 4.37Å; M198-F496 HydrophobicContact SD-CE2 3.85Å; M198-F496 HydrophobicContact SD-CZ 4.31Å; M198-N498 HydrophobicContact CE-CB 3.56Å; M198-N498 HydrophobicContact CG-CB 4.19Å; M198-N498 HydrophobicContact SD-CB 3.62Å; M198-L501 HydrophobicContact CE-CD1 4.33Å; M198-L501 HydrophobicContact SD-CD1 3.57Å; M198-L501 VanDerWaalsContact SD-CD1 3.57Å; M198-L501 HydrophobicContact SD-CG 4.17Å
199	R	98.9	Very high	98.4	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.011	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	125.7	179.3	-167.1	-176.1	-50.6	114.4	14.8	110.6	N471 Q477 F496 E497 N498	R199-N471 WeakPolarHBondContact CG-O 3.25Å; R199-Q477 VanDerWaalsContact CA-OE1 3.31Å; R199-F496 PolarHBondContact N-O 3.5Å; R199-E497 HydrophobicContact CB-CG 4.24Å; R199-E497 IonicContact CZ-OE1 2.69Å; R199-E497 VanDerWaalsContact NH1-CD 3.27Å; R199-E497 IonicContact NH1-OE1 3.57Å; R199-E497 PolarHBondContact NH1-OE1 2.91Å; R199-N498 PolarHBondContact O-N 3.07Å
200	P	98.9	Very high	98.4	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.013	6%	0.064	C	C	.	.	P	Polyproline II helix	trans	-73.6	170.7	172.8	32.6	-36.4	0	0	0	112	N209 D355 N471 M476	P200-N209 VanDerWaalsContact CA-OD1 3.28Å; P200-N209 WeakPolarHBondContact CA-OD1 3.42Å; P200-N209 WeakPolarHBondContact CB-OD1 3.48Å; P200-D355 WeakPolarHBondContact CB-O 3.24Å; P200-N471 HydrophobicContact CG-CB 4.21Å; P200-N471 VanDerWaalsContact O-CB 3.29Å; P200-N471 WeakPolarHBondContact O-CB 3.46Å; P200-N471 PolarHBondContact O-ND2 3.15Å; P200-M476 WeakPolarHBondContact CG-O 3.43Å
201	V	98.9	Very high	98.4	Very high	4 Å²	4	10 Å²	10	2%	0.024	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-80.2	161.6	162.9	-67.2	0	0	0	0	111	P203 S204 P208 N209 S212 Y218 P219 N498 I499	V201-P203 CarbonylContact O-C 3.42Å; V201-P203 VanDerWaalsContact O-C 3.26Å; V201-S204 PolarHBondContact O-N 3.05Å; V201-P208 HydrophobicContact CG2-CB 4.44Å; V201-N209 HydrophobicContact CG2-CB 4.47Å; V201-N209 VanDerWaalsContact CG2-OD1 3.24Å; V201-N209 WeakPolarHBondContact CG2-OD1 3.32Å; V201-N209 PolarHBondContact N-OD1 2.77Å; V201-N209 PolarHBondContact O-ND2 3.49Å; V201-S212 VanDerWaalsContact CG2-OG 3.3Å; V201-S212 WeakPolarHBondContact CG2-OG 3.38Å; V201-Y218 HydrophobicContact CG1-CD1 4.02Å; V201-Y218 HydrophobicContact CG1-CE1 4.42Å; V201-P219 HydrophobicContact CB-CG 4.08Å; V201-P219 HydrophobicContact CG2-CG 3.68Å; V201-N498 WeakPolarHBondContact CG1-OD1 3.38Å; V201-I499 HydrophobicContact CG1-CG2 3.53Å
202	Y	98.9	Very high	98.4	Very high	1 Å²	1	9.9 Å²	9.9	0%	0.004	5%	0.051	C	C	.	.	S	Bend	trans	-92.8	138	171.4	-174.3	-98.4	0	0	0	111.7	P219 L386 L429 Y431 H441 L443 G468 Y469	Y202-P219 WeakPolarHBondContact O-CG 3.49Å; Y202-L386 VanDerWaalsContact OH-CB 3.31Å; Y202-L386 WeakPolarHBondContact OH-CB 3.41Å; Y202-L429 HydrophobicContact CD1-CB 4.45Å; Y202-L429 HydrophobicContact CD1-CD1 4.36Å; Y202-L429 HydrophobicContact CD1-CD2 4.48Å; Y202-L429 HydrophobicContact CD2-CD2 4.31Å; Y202-L429 HydrophobicContact CG-CD2 3.93Å; Y202-Y431 AromaticContact CD1-CD1 3.93Å; Y202-Y431 HydrophobicContact CD1-CD1 3.93Å; Y202-Y431 HydrophobicContact CD1-CD2 4.19Å; Y202-Y431 HydrophobicContact CD1-CE1 4.45Å; Y202-Y431 AromaticContact CD1-CG 3.77Å; Y202-Y431 HydrophobicContact CD1-CG 3.77Å; Y202-Y431 AromaticContact CE1-CD1 3.82Å; Y202-Y431 HydrophobicContact CE1-CD1 3.82Å; Y202-Y431 HydrophobicContact CE1-CE1 4.09Å; Y202-Y431 HydrophobicContact CE1-CG 4.16Å; Y202-Y431 WeakPolarHBondContact O-CD2 3.42Å; Y202-H441 AromaticContact CE1-CE1 3.72Å; Y202-H441 AromaticContact CE1-NE2 3.53Å; Y202-H441 AromaticContact CZ-NE2 3.53Å; Y202-H441 PolarHBondContact OH-CE1 3.14Å; Y202-H441 PolarHBondContact OH-NE2 3.21Å; Y202-L443 HydrophobicContact CE2-CD1 4.28Å; Y202-G468 WeakPolarHBondContact CE2-O 3.21Å; Y202-Y469 WeakPolarHBondContact CD2-O 3.24Å
203	P	98.8	Very high	98.5	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	S	Bend	cis	-69.5	146.9	-7.6	30.6	-36	0	0	0	111.2	V201 K205 P208 N209 I225 L386 Y431	V201-P203 CarbonylContact O-C 3.42Å; V201-P203 VanDerWaalsContact O-C 3.26Å; P203-K205 HydrophobicContact CB-CG 4.24Å; P203-K205 PolarHBondContact O-N 3.04Å; P203-P208 HydrophobicContact CG-CG 4.19Å; P203-N209 PolarHBondContact O-ND2 2.83Å; P203-I225 WeakPolarHBondContact CD-O 3.49Å; P203-I225 WeakPolarHBondContact CG-O 3.29Å; P203-L386 HydrophobicContact CB-CD2 3.74Å; P203-Y431 HydrophobicContact CG-CE2 4.37Å
204	S	98.6	Very high	98.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.			trans	-73.6	56.5	179	51.8	0	0	0	0	112.1	V201 H467 G468 Y469 M476	V201-S204 PolarHBondContact O-N 3.05Å; S204-H467 PolarHBondContact O-ND1 3.21Å; S204-G468 WeakPolarHBondContact O-CA 3.45Å; S204-G468 PolarHBondContact O-N 3.47Å; S204-G468 VanDerWaalsContact O-N 3.1Å; S204-G468 WeakPolarHBondContact OG-CA 3.42Å; S204-G468 PolarHBondContact OG-N 3.41Å; S204-Y469 PolarHBondContact OG-N 3.5Å; S204-Y469 VanDerWaalsContact OG-N 3.15Å; S204-Y469 PolarHBondContact OG-O 2.8Å; S204-M476 PolarHBondContact OG-SD 2.79Å
205	K	98.5	Very high	98.4	Very high	31 Å²	31	9.4 Å²	9.4	14%	0.135	5%	0.049	C	C	.	.			trans	-115.8	156.5	179	-66.7	-61.8	-160.4	178.2	0	109.8	P203 P208 N209 D466 H467	P203-K205 HydrophobicContact CB-CG 4.24Å; P203-K205 PolarHBondContact O-N 3.04Å; K205-P208 HydrophobicContact CB-CG 4.31Å; K205-P208 WeakPolarHBondContact O-CD 3.29Å; K205-N209 PolarHBondContact N-ND2 3.37Å; K205-N209 WeakPolarHBondContact O-CB 3.37Å; K205-N209 PolarHBondContact O-N 3.09Å; K205-N209 VanDerWaalsContact O-N 3.15Å; K205-N209 PolarHBondContact O-ND2 3.08Å; K205-D466 IonicContact NZ-OD1 3.67Å; K205-D466 PolarHBondContact NZ-OD1 3.42Å; K205-D466 IonicContact NZ-OD2 3.77Å; K205-H467 VanDerWaalsContact CD-CE1 3.44Å; K205-H467 WeakPolarHBondContact CD-CE1 3.25Å; K205-H467 WeakPolarHBondContact CD-ND1 3.24Å; K205-H467 WeakPolarHBondContact CE-O 3.29Å; K205-H467 PolarHBondContact NZ-O 2.69Å
206	T	97.2	Very high	98.5	Very high	9 Å²	9	9.1 Å²	9.1	6%	0.055	5%	0.046	C	C	.	.	H	α-helix	trans	-52.5	-62	-173.4	-41.6	0	0	0	0	115.4	D168 N209 L210 W272 D355 H356	D168-T206 WeakPolarHBondContact OD2-CG2 3.3Å; T206-N209 PolarHBondContact O-N 3.02Å; T206-L210 HydrophobicContact CG2-CD1 4.26Å; T206-L210 WeakPolarHBondContact O-CG 3.42Å; T206-L210 PolarHBondContact O-N 3.03Å; T206-W272 HydrophobicContact CG2-CH2 3.16Å; T206-W272 HydrophobicContact CG2-CZ2 3.51Å; T206-W272 HydrophobicContact CG2-CZ3 4.31Å; T206-D355 WeakPolarHBondContact CA-OD2 3.48Å; T206-D355 WeakPolarHBondContact CG2-OD2 3.32Å; T206-H356 PolarHBondContact N-CD2 3.43Å; T206-H356 PolarHBondContact N-NE2 2.87Å; T206-H356 PolarHBondContact OG1-NE2 2.87Å; T206-H356 VanDerWaalsContact OG1-NE2 3.14Å
207	F	97.1	Very high	98.6	Very high	10 Å²	10	7.7 Å²	7.7	4%	0.044	4%	0.036	C	C	.	.	H	α-helix	trans	-62.6	-45.8	-174.7	-91.9	-117.7	0	0	0	113.3	N209 Y211 I224 N227 F238 L240 W251 W272	F207-N209 VanDerWaalsContact C-N 3.34Å; F207-N209 PolarHBondContact O-N 2.99Å; F207-Y211 WeakPolarHBondContact O-CB 3.31Å; F207-Y211 PolarHBondContact O-N 3.41Å; F207-I224 HydrophobicContact CB-CG2 3.76Å; F207-I224 HydrophobicContact CD1-CG2 4.38Å; F207-N227 WeakPolarHBondContact CB-OD1 3.23Å; F207-N227 PolarHBondContact N-OD1 2.81Å; F207-F238 HydrophobicContact CD1-CE1 4Å; F207-F238 AromaticContact CD1-CZ 3.54Å; F207-F238 HydrophobicContact CD1-CZ 3.54Å; F207-F238 HydrophobicContact CE1-CE1 4.31Å; F207-F238 AromaticContact CE1-CZ 3.65Å; F207-F238 HydrophobicContact CE1-CZ 3.65Å; F207-L240 HydrophobicContact CD2-CD2 3.28Å; F207-L240 HydrophobicContact CE2-CD2 3.18Å; F207-L240 HydrophobicContact CG-CD2 4.12Å; F207-L240 HydrophobicContact CZ-CD2 3.93Å; F207-W251 AromaticContact CD1-CH2 3.54Å; F207-W251 HydrophobicContact CD1-CH2 3.54Å; F207-W251 HydrophobicContact CD1-CZ2 4.33Å; F207-W251 HydrophobicContact CD1-CZ3 4.22Å; F207-W251 AromaticContact CE1-CH2 3.45Å; F207-W251 HydrophobicContact CE1-CH2 3.45Å; F207-W251 VanDerWaalsContact CE1-CH2 3.45Å; F207-W251 AromaticContact CE1-CZ2 3.99Å; F207-W251 HydrophobicContact CE1-CZ2 3.99Å; F207-W272 AromaticContact CD2-CZ2 3.96Å; F207-W272 HydrophobicContact CD2-CZ2 3.96Å; F207-W272 HydrophobicContact CE2-CD2 4.2Å; F207-W272 AromaticContact CE2-CE2 3.58Å; F207-W272 HydrophobicContact CE2-CH2 4.48Å; F207-W272 AromaticContact CE2-CZ2 3.7Å; F207-W272 HydrophobicContact CE2-CZ2 3.7Å; F207-W272 AromaticContact CE2-NE1 3.7Å; F207-W272 AromaticContact CZ-CD1 3.94Å; F207-W272 HydrophobicContact CZ-CD2 4.41Å; F207-W272 AromaticContact CZ-CE2 3.94Å; F207-W272 HydrophobicContact CZ-CG 4.39Å; F207-W272 HydrophobicContact CZ-CZ2 4.48Å; F207-W272 AromaticContact CZ-NE1 3.61Å
208	P	98.6	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-54.3	-49.2	172	-27.2	34.4	0	0	0	112.2	V201 P203 K205 Y211 S212 P219 H222	V201-P208 HydrophobicContact CG2-CB 4.44Å; P203-P208 HydrophobicContact CG-CG 4.19Å; K205-P208 HydrophobicContact CB-CG 4.31Å; K205-P208 WeakPolarHBondContact O-CD 3.29Å; P208-Y211 PolarHBondContact O-N 2.73Å; P208-S212 WeakPolarHBondContact O-CB 3.32Å; P208-S212 PolarHBondContact O-N 3.37Å; P208-S212 PolarHBondContact O-OG 3.21Å; P208-S212 VanDerWaalsContact O-OG 3.12Å; P208-P219 HydrophobicContact CB-CB 4.42Å; P208-P219 HydrophobicContact CB-CG 3.96Å; P208-H222 PolarHBondContact O-NE2 3.43Å
209	N	98.8	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-72.6	-42.5	-172.9	-82.4	-79.7	0	0	0	113.9	P200 V201 P203 K205 T206 F207 Y211 S212 I213 D355 N498	P200-N209 VanDerWaalsContact CA-OD1 3.28Å; P200-N209 WeakPolarHBondContact CA-OD1 3.42Å; P200-N209 WeakPolarHBondContact CB-OD1 3.48Å; V201-N209 HydrophobicContact CG2-CB 4.47Å; V201-N209 VanDerWaalsContact CG2-OD1 3.24Å; V201-N209 WeakPolarHBondContact CG2-OD1 3.32Å; V201-N209 PolarHBondContact N-OD1 2.77Å; V201-N209 PolarHBondContact O-ND2 3.49Å; P203-N209 PolarHBondContact O-ND2 2.83Å; K205-N209 PolarHBondContact N-ND2 3.37Å; K205-N209 WeakPolarHBondContact O-CB 3.37Å; K205-N209 PolarHBondContact O-N 3.09Å; K205-N209 VanDerWaalsContact O-N 3.15Å; K205-N209 PolarHBondContact O-ND2 3.08Å; T206-N209 PolarHBondContact O-N 3.02Å; F207-N209 VanDerWaalsContact C-N 3.34Å; F207-N209 PolarHBondContact O-N 2.99Å; N209-Y211 VanDerWaalsContact C-N 3.27Å; N209-Y211 PolarHBondContact O-N 3.14Å; N209-S212 PolarHBondContact O-N 2.91Å; N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.48Å; N209-I213 PolarHBondContact O-N 3.01Å; N209-D355 HydrophobicContact CB-CB 3.88Å; N209-D355 VanDerWaalsContact CB-O 3.29Å; N209-D355 WeakPolarHBondContact CB-O 3.45Å; N209-D355 PolarHBondContact OD1-O 3.31Å; N209-N498 PolarHBondContact OD1-ND2 3.45Å
210	L	98.1	Very high	98.6	Very high	8 Å²	8	6.4 Å²	6.4	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-62.6	-38.3	175.6	-67.6	-169.2	0	0	0	112	S166 T206 I213 A214 F271 W272 H303 D355	S166-L210 WeakPolarHBondContact OG-CD2 3.34Å; T206-L210 HydrophobicContact CG2-CD1 4.26Å; T206-L210 WeakPolarHBondContact O-CG 3.42Å; T206-L210 PolarHBondContact O-N 3.03Å; L210-I213 PolarHBondContact O-N 2.89Å; L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 2.71Å; L210-F271 HydrophobicContact CB-CE1 4.07Å; L210-F271 HydrophobicContact CD1-CD1 4.41Å; L210-F271 HydrophobicContact CD1-CE1 3.78Å; L210-F271 HydrophobicContact CG-CE1 4.42Å; L210-W272 HydrophobicContact CD1-CH2 3.63Å; L210-W272 HydrophobicContact CD1-CZ2 3.15Å; L210-W272 HydrophobicContact CG-CZ2 4.34Å; L210-H303 WeakPolarHBondContact CD1-ND1 3.44Å; L210-D355 HydrophobicContact CD2-CB 3.67Å; L210-D355 HydrophobicContact CG-CB 4.21Å
211	Y	98.4	Very high	98.6	Very high	17 Å²	17	9.2 Å²	9.2	7%	0.067	5%	0.051	C	C	.	.	H	α-helix	trans	-74.9	-34.4	179	-151.7	-115.9	0	0	0	111.9	F207 P208 N209 A214 T215 H222 I224 W251 G252 P255	F207-Y211 WeakPolarHBondContact O-CB 3.31Å; F207-Y211 PolarHBondContact O-N 3.41Å; P208-Y211 PolarHBondContact O-N 2.73Å; N209-Y211 VanDerWaalsContact C-N 3.27Å; N209-Y211 PolarHBondContact O-N 3.14Å; Y211-A214 PolarHBondContact O-N 3.11Å; Y211-T215 HydrophobicContact CD1-CG2 4.14Å; Y211-T215 HydrophobicContact CE1-CG2 3.88Å; Y211-T215 HydrophobicContact CE2-CG2 4.31Å; Y211-T215 HydrophobicContact CG-CG2 4.47Å; Y211-T215 WeakPolarHBondContact O-CB 3.49Å; Y211-T215 WeakPolarHBondContact O-CG2 3.29Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 3.46Å; Y211-H222 HydrophobicContact CD1-CB 3.83Å; Y211-H222 AromaticContact CD1-CD2 3.99Å; Y211-H222 AromaticContact CD1-CG 3.67Å; Y211-H222 AromaticContact CD1-ND1 3.81Å; Y211-H222 HydrophobicContact CE1-CB 3.91Å; Y211-I224 HydrophobicContact CD1-CB 4.44Å; Y211-I224 HydrophobicContact CD1-CG1 3.73Å; Y211-I224 HydrophobicContact CE1-CG1 4.21Å; Y211-I224 HydrophobicContact CG-CG1 4.17Å; Y211-W251 HydrophobicContact CD1-CE3 4.27Å; Y211-W251 AromaticContact CD2-CE3 3.64Å; Y211-W251 HydrophobicContact CD2-CE3 3.64Å; Y211-W251 AromaticContact CD2-CZ3 3.74Å; Y211-W251 HydrophobicContact CD2-CZ3 3.74Å; Y211-W251 HydrophobicContact CE1-CE3 4.16Å; Y211-W251 AromaticContact CE2-CE3 3.53Å; Y211-W251 HydrophobicContact CE2-CE3 3.53Å; Y211-W251 HydrophobicContact CE2-CZ3 4.08Å; Y211-W251 HydrophobicContact CG-CE3 4.04Å; Y211-W251 HydrophobicContact CG-CZ3 4.13Å; Y211-W251 AromaticContact CZ-CE3 3.83Å; Y211-G252 WeakPolarHBondContact CE1-O 3.42Å; Y211-G252 PolarHBondContact OH-O 3.24Å; Y211-P255 HydrophobicContact CE2-CB 4.42Å; Y211-P255 HydrophobicContact CE2-CG 4.48Å
212	S	98.9	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.1	-44.4	168.5	-71.7	0	0	0	0	112.6	V201 P208 N209 A214 T215 G216 L217 H222	V201-S212 VanDerWaalsContact CG2-OG 3.3Å; V201-S212 WeakPolarHBondContact CG2-OG 3.38Å; P208-S212 WeakPolarHBondContact O-CB 3.32Å; P208-S212 PolarHBondContact O-N 3.37Å; P208-S212 PolarHBondContact O-OG 3.21Å; P208-S212 VanDerWaalsContact O-OG 3.12Å; N209-S212 PolarHBondContact O-N 2.91Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.27Å; S212-T215 PolarHBondContact O-N 3.19Å; S212-G216 VanDerWaalsContact O-CA 3.3Å; S212-G216 WeakPolarHBondContact O-CA 3.44Å; S212-G216 PolarHBondContact O-N 3.46Å; S212-L217 WeakPolarHBondContact CA-O 3.47Å; S212-L217 VanDerWaalsContact CB-O 3.29Å; S212-L217 WeakPolarHBondContact CB-O 3.48Å; S212-L217 PolarHBondContact OG-O 3.46Å; S212-H222 PolarHBondContact OG-NE2 3.48Å
213	I	98.8	Very high	98.6	Very high	9 Å²	9	9.2 Å²	9.2	5%	0.046	5%	0.052	C	C	.	.	H	α-helix	trans	-59.1	-44.4	174.4	-70	162.7	0	0	0	110.2	N209 L210 T215 V353 N498 L501 M505	N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.48Å; N209-I213 PolarHBondContact O-N 3.01Å; L210-I213 PolarHBondContact O-N 2.89Å; I213-T215 VanDerWaalsContact C-N 3.33Å; I213-T215 PolarHBondContact O-N 2.7Å; I213-V353 HydrophobicContact CD1-CG2 4.1Å; I213-N498 HydrophobicContact CD1-CB 4.46Å; I213-N498 HydrophobicContact CG1-CB 3.82Å; I213-L501 HydrophobicContact CG2-CD1 4.33Å; I213-M505 HydrophobicContact CG2-CE 4.28Å; I213-M505 WeakPolarHBondContact O-CE 3.18Å
214	A	98.4	Very high	98.5	Very high	4 Å²	4	9.2 Å²	9.2	3%	0.033	5%	0.052	C	C	.	.	H	α-helix	trans	-70.5	-24.6	-177	0	0	0	0	0	114.1	L210 Y211 S212 P255 I256 W257 Y502	L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 2.71Å; Y211-A214 PolarHBondContact O-N 3.11Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.27Å; A214-P255 HydrophobicContact CB-CB 4.04Å; A214-P255 CarbonylContact O-C 3.52Å; A214-P255 WeakPolarHBondContact O-CA 3.44Å; A214-I256 PolarHBondContact O-N 3.48Å; A214-W257 HydrophobicContact CB-CH2 3.72Å; A214-W257 HydrophobicContact CB-CZ3 3.62Å; A214-Y502 WeakPolarHBondContact O-CD2 3.46Å
215	T	98.8	Very high	98.5	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.012	5%	0.052	C	C	.	.	H	α-helix	trans	-119	-17.6	-171.1	59	0	0	0	0	114.6	Y211 S212 I213 L217 P255 N516	Y211-T215 HydrophobicContact CD1-CG2 4.14Å; Y211-T215 HydrophobicContact CE1-CG2 3.88Å; Y211-T215 HydrophobicContact CE2-CG2 4.31Å; Y211-T215 HydrophobicContact CG-CG2 4.47Å; Y211-T215 WeakPolarHBondContact O-CB 3.49Å; Y211-T215 WeakPolarHBondContact O-CG2 3.29Å; Y211-T215 PolarHBondContact O-N 3.09Å; Y211-T215 PolarHBondContact O-OG1 3.46Å; S212-T215 PolarHBondContact O-N 3.19Å; I213-T215 VanDerWaalsContact C-N 3.33Å; I213-T215 PolarHBondContact O-N 2.7Å; T215-L217 PolarHBondContact O-N 3.5Å; T215-L217 WeakPolarHBondContact OG1-CB 3.42Å; T215-L217 PolarHBondContact OG1-N 3Å; T215-P255 HydrophobicContact CG2-CB 4.04Å; T215-N516 WeakPolarHBondContact O-CB 3.34Å
216	G	98.9	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	68	15	-170.1	0	0	0	0	0	113.9	S212 I499 Y502 N517	S212-G216 VanDerWaalsContact O-CA 3.3Å; S212-G216 WeakPolarHBondContact O-CA 3.44Å; S212-G216 PolarHBondContact O-N 3.46Å; G216-I499 VanDerWaalsContact CA-O 3.24Å; G216-I499 WeakPolarHBondContact CA-O 2.99Å; G216-Y502 VanDerWaalsContact N-CB 3.3Å; G216-N517 WeakPolarHBondContact O-CB 3.49Å; G216-N517 PolarHBondContact O-N 3.01Å
217	L	98.9	Very high	98.5	Very high	20 Å²	20	8.5 Å²	8.5	11%	0.105	5%	0.049	C	C	.	.			trans	-104.7	149.3	-175.4	-68.3	170.2	0	0	0	112.3	S212 T215 H222 N516 N517	S212-L217 WeakPolarHBondContact CA-O 3.47Å; S212-L217 VanDerWaalsContact CB-O 3.29Å; S212-L217 WeakPolarHBondContact CB-O 3.48Å; S212-L217 PolarHBondContact OG-O 3.46Å; T215-L217 PolarHBondContact O-N 3.5Å; T215-L217 WeakPolarHBondContact OG1-CB 3.42Å; T215-L217 PolarHBondContact OG1-N 3Å; L217-H222 HydrophobicContact CB-CB 3.91Å; L217-H222 HydrophobicContact CD1-CB 4Å; L217-H222 PolarHBondContact O-CD2 2.86Å; L217-N516 HydrophobicContact CD2-CB 4.33Å; L217-N517 VanDerWaalsContact CA-OD1 3.23Å; L217-N517 WeakPolarHBondContact CA-OD1 3.11Å; L217-N517 WeakPolarHBondContact CD2-OD1 3.46Å
218	Y	98.9	Very high	98.4	Very high	8 Å²	8	10.4 Å²	10.4	3%	0.031	6%	0.064	C	C	.	.			trans	-68.3	155.1	166.2	-68.7	-58.3	0	0	0	111.8	V201 E220 S221 H222 H430 I499 N517 R828	V201-Y218 HydrophobicContact CG1-CD1 4.02Å; V201-Y218 HydrophobicContact CG1-CE1 4.42Å; Y218-E220 VanDerWaalsContact C-N 3.28Å; Y218-E220 PolarHBondContact O-N 3.16Å; Y218-S221 PolarHBondContact O-N 3.47Å; Y218-H222 PolarHBondContact O-CD2 3.22Å; Y218-H222 PolarHBondContact O-N 3.01Å; Y218-H430 HydrophobicContact CD1-CB 3.81Å; Y218-H430 HydrophobicContact CD2-CB 3.52Å; Y218-H430 AromaticContact CD2-CG 3.59Å; Y218-H430 AromaticContact CD2-ND1 3.9Å; Y218-H430 HydrophobicContact CE1-CB 4.09Å; Y218-H430 AromaticContact CE1-CD2 3.88Å; Y218-H430 HydrophobicContact CE2-CB 3.83Å; Y218-H430 AromaticContact CE2-CD2 3.51Å; Y218-H430 AromaticContact CE2-CE1 3.89Å; Y218-H430 AromaticContact CE2-CG 3.38Å; Y218-H430 AromaticContact CE2-ND1 3.64Å; Y218-H430 AromaticContact CE2-NE2 3.82Å; Y218-H430 HydrophobicContact CG-CB 3.53Å; Y218-H430 AromaticContact CZ-CD2 3.35Å; Y218-H430 AromaticContact CZ-CG 3.68Å; Y218-H430 AromaticContact CZ-NE2 3.84Å; Y218-I499 HydrophobicContact CD1-CG2 4.17Å; Y218-I499 HydrophobicContact CE1-CD1 3.66Å; Y218-I499 HydrophobicContact CE1-CG2 4.1Å; Y218-I499 HydrophobicContact CE2-CD1 4.28Å; Y218-I499 VanDerWaalsContact CZ-CD1 3.47Å; Y218-I499 WeakPolarHBondContact OH-CD1 3.19Å; Y218-N517 HydrophobicContact CD2-CB 3.7Å; Y218-N517 HydrophobicContact CE2-CB 3.67Å; Y218-N517 HydrophobicContact CG-CB 4.43Å; Y218-N517 PolarHBondContact N-OD1 2.91Å; Y218-R828 PolarHBondContact OH-NH1 3.19Å; Y218-R828 PolarHBondContact OH-NH2 2.95Å
219	P	98.9	Very high	98.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57	-37.3	179.7	-30.9	40	0	0	0	115.7	V201 Y202 P208 S221 H222 G223 I225 Y431	V201-P219 HydrophobicContact CB-CG 4.08Å; V201-P219 HydrophobicContact CG2-CG 3.68Å; Y202-P219 WeakPolarHBondContact O-CG 3.49Å; P208-P219 HydrophobicContact CB-CB 4.42Å; P208-P219 HydrophobicContact CB-CG 3.96Å; P219-S221 PolarHBondContact O-N 2.91Å; P219-H222 WeakPolarHBondContact CA-CE1 3.33Å; P219-H222 PolarHBondContact O-ND1 3.17Å; P219-G223 WeakPolarHBondContact O-CA 3.4Å; P219-G223 PolarHBondContact O-N 2.76Å; P219-I225 HydrophobicContact CB-CG2 4.36Å; P219-I225 VanDerWaalsContact O-CG2 3.3Å; P219-I225 WeakPolarHBondContact O-CG2 3.47Å; P219-Y431 HydrophobicContact CB-CD2 4.48Å; P219-Y431 HydrophobicContact CB-CE2 4.4Å
220	E	98.8	Very high	98.3	Very high	10 Å²	10	12 Å²	12	5%	0.047	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-30.7	176.3	69.5	-175.6	176.9	0	0	112.9	Y218 H430 Y431 A432 N433 N434 I437	Y218-E220 VanDerWaalsContact C-N 3.28Å; Y218-E220 PolarHBondContact O-N 3.16Å; E220-H430 VanDerWaalsContact CG-O 3.32Å; E220-H430 WeakPolarHBondContact CG-O 3.48Å; E220-H430 WeakPolarHBondContact OE1-CB 3.34Å; E220-H430 VanDerWaalsContact OE2-C 3.24Å; E220-Y431 PolarHBondContact OE2-N 3.25Å; E220-A432 PolarHBondContact OE2-N 3.4Å; E220-N433 PolarHBondContact OE2-N 3.39Å; E220-N434 HydrophobicContact CB-CB 4.22Å; E220-N434 PolarHBondContact O-ND2 3.12Å; E220-I437 HydrophobicContact CB-CD1 4.04Å
221	S	98.8	Very high	98.3	Very high	61 Å²	61	11.7 Å²	11.7	43%	0.427	7%	0.069	S	C	.	.	H	α-helix	trans	-83.9	-46.1	179.8	-68.6	0	0	0	0	112.6	Y218 P219 G223	Y218-S221 PolarHBondContact O-N 3.47Å; P219-S221 PolarHBondContact O-N 2.91Å; S221-G223 VanDerWaalsContact C-N 3.34Å
222	H	98.7	Very high	98.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-83.5	-10.5	-177.9	65.5	48.1	0	0	0	113.9	P208 Y211 S212 L217 Y218 P219 I224 G252	P208-H222 PolarHBondContact O-NE2 3.43Å; Y211-H222 HydrophobicContact CD1-CB 3.83Å; Y211-H222 AromaticContact CD1-CD2 3.99Å; Y211-H222 AromaticContact CD1-CG 3.67Å; Y211-H222 AromaticContact CD1-ND1 3.81Å; Y211-H222 HydrophobicContact CE1-CB 3.91Å; S212-H222 PolarHBondContact OG-NE2 3.48Å; L217-H222 HydrophobicContact CB-CB 3.91Å; L217-H222 HydrophobicContact CD1-CB 4Å; L217-H222 PolarHBondContact O-CD2 2.86Å; Y218-H222 PolarHBondContact O-CD2 3.22Å; Y218-H222 PolarHBondContact O-N 3.01Å; P219-H222 WeakPolarHBondContact CA-CE1 3.33Å; P219-H222 PolarHBondContact O-ND1 3.17Å; H222-I224 PolarHBondContact CE1-O 2.83Å; H222-I224 VanDerWaalsContact CE1-O 3.27Å; H222-I224 PolarHBondContact ND1-N 3.13Å; H222-I224 VanDerWaalsContact ND1-N 3.13Å; H222-I224 PolarHBondContact O-N 2.93Å; H222-G252 WeakPolarHBondContact O-CA 3.46Å; H222-G252 PolarHBondContact O-N 2.8Å
223	G	98.6	Very high	97.9	Very high	4 Å²	4	18.7 Å²	18.7	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	87.4	-14.9	170.4	0	0	0	0	0	116.3	P219 S221 I225 M229 R436	P219-G223 WeakPolarHBondContact O-CA 3.4Å; P219-G223 PolarHBondContact O-N 2.76Å; S221-G223 VanDerWaalsContact C-N 3.34Å; G223-I225 PolarHBondContact O-N 3.04Å; G223-I225 VanDerWaalsContact O-N 3.12Å; G223-M229 VanDerWaalsContact O-SD 3.34Å; G223-R436 VanDerWaalsContact C-NH1 3.27Å; G223-R436 WeakPolarHBondContact O-CD 3.45Å; G223-R436 PolarHBondContact O-NH1 3.12Å
224	I	98.5	Very high	97.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.			trans	-80.5	76.1	171.6	-47.6	-56.7	0	0	0	111.1	F207 Y211 H222 G226 M229 W250 W251	F207-I224 HydrophobicContact CB-CG2 3.76Å; F207-I224 HydrophobicContact CD1-CG2 4.38Å; Y211-I224 HydrophobicContact CD1-CB 4.44Å; Y211-I224 HydrophobicContact CD1-CG1 3.73Å; Y211-I224 HydrophobicContact CE1-CG1 4.21Å; Y211-I224 HydrophobicContact CG-CG1 4.17Å; H222-I224 PolarHBondContact CE1-O 2.83Å; H222-I224 VanDerWaalsContact CE1-O 3.27Å; H222-I224 PolarHBondContact ND1-N 3.13Å; H222-I224 VanDerWaalsContact ND1-N 3.13Å; H222-I224 PolarHBondContact O-N 2.93Å; I224-G226 VanDerWaalsContact C-N 3.31Å; I224-G226 PolarHBondContact O-N 3.22Å; I224-M229 HydrophobicContact CD1-CE 3.75Å; I224-M229 HydrophobicContact CG2-CE 4.37Å; I224-W250 HydrophobicContact CD1-CB 4.12Å; I224-W250 VanDerWaalsContact CD1-O 3.29Å; I224-W250 WeakPolarHBondContact CD1-O 3.21Å; I224-W251 HydrophobicContact CD1-CD2 3.76Å; I224-W251 HydrophobicContact CD1-CE3 3.58Å; I224-W251 HydrophobicContact CD1-CG 4.27Å; I224-W251 HydrophobicContact CD1-CZ3 4.03Å; I224-W251 HydrophobicContact CG1-CD2 4.3Å; I224-W251 HydrophobicContact CG1-CE3 3.62Å; I224-W251 HydrophobicContact CG1-CZ3 3.92Å
225	I	98.5	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.155	C	C	.	.			trans	-81.9	-3.4	-171.7	63.3	75.7	0	0	0	114.7	P203 P219 G223 M229 R388 Y431 N434 R436 I437	P203-I225 WeakPolarHBondContact CD-O 3.49Å; P203-I225 WeakPolarHBondContact CG-O 3.29Å; P219-I225 HydrophobicContact CB-CG2 4.36Å; P219-I225 VanDerWaalsContact O-CG2 3.3Å; P219-I225 WeakPolarHBondContact O-CG2 3.47Å; G223-I225 PolarHBondContact O-N 3.04Å; G223-I225 VanDerWaalsContact O-N 3.12Å; I225-M229 HydrophobicContact CD1-CB 3.48Å; I225-M229 VanDerWaalsContact CD1-CB 3.48Å; I225-M229 HydrophobicContact CD1-CG 4.45Å; I225-M229 HydrophobicContact CD1-SD 4.27Å; I225-M229 HydrophobicContact CG1-CB 4.03Å; I225-M229 HydrophobicContact CG1-SD 3.84Å; I225-M229 PolarHBondContact N-SD 2.91Å; I225-R388 VanDerWaalsContact CD1-CZ 3.46Å; I225-R388 VanDerWaalsContact CD1-NH2 3.3Å; I225-Y431 HydrophobicContact CB-CE2 3.91Å; I225-Y431 HydrophobicContact CG2-CE2 4.45Å; I225-Y431 WeakPolarHBondContact O-CE2 3.39Å; I225-Y431 PolarHBondContact O-OH 2.97Å; I225-N434 HydrophobicContact CG2-CB 4.2Å; I225-R436 HydrophobicContact CD1-CB 4.45Å; I225-R436 WeakPolarHBondContact CD1-O 3.22Å; I225-R436 HydrophobicContact CG1-CB 3.69Å; I225-I437 HydrophobicContact CB-CD1 4.44Å; I225-I437 HydrophobicContact CB-CG1 3.92Å; I225-I437 HydrophobicContact CG1-CG1 4.07Å; I225-I437 HydrophobicContact CG2-CD1 3.98Å; I225-I437 HydrophobicContact CG2-CG1 3.79Å
226	G	97.8	Very high	97.4	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	179.1	167.7	177.6	0	0	0	0	0	113.1	I224 S228	I224-G226 VanDerWaalsContact C-N 3.31Å; I224-G226 PolarHBondContact O-N 3.22Å; G226-S228 PolarHBondContact O-N 2.8Å
227	N	96.6	Very high	97.3	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	18%	0.178	C	C	.	.	S	Bend	trans	-65.5	-15.2	173	-74.6	1.3	0	0	0	112.8	F207 N239 L240	F207-N227 WeakPolarHBondContact CB-OD1 3.23Å; F207-N227 PolarHBondContact N-OD1 2.81Å; N227-N239 WeakPolarHBondContact O-CA 3.46Å; N227-L240 HydrophobicContact CB-CD1 4.05Å; N227-L240 HydrophobicContact CB-CD2 3.95Å; N227-L240 HydrophobicContact CB-CG 3.97Å; N227-L240 PolarHBondContact O-N 2.84Å
228	S	96.6	Very high	97.1	Very high	51 Å²	51	29.3 Å²	29.3	36%	0.357	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.1	168.7	-65.5	0	0	0	0	109	G226 F238 R388	G226-S228 PolarHBondContact O-N 2.8Å; S228-F238 VanDerWaalsContact CA-O 3.28Å; S228-F238 WeakPolarHBondContact CA-O 3.49Å; S228-R388 PolarHBondContact O-NH2 3.45Å
229	M	97.5	Very high	96.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	156.1	-176.2	57	-176.9	174.5	0	0	110.9	G223 I224 I225 T237 F238 W250	G223-M229 VanDerWaalsContact O-SD 3.34Å; I224-M229 HydrophobicContact CD1-CE 3.75Å; I224-M229 HydrophobicContact CG2-CE 4.37Å; I225-M229 HydrophobicContact CD1-CB 3.48Å; I225-M229 VanDerWaalsContact CD1-CB 3.48Å; I225-M229 HydrophobicContact CD1-CG 4.45Å; I225-M229 HydrophobicContact CD1-SD 4.27Å; I225-M229 HydrophobicContact CG1-CB 4.03Å; I225-M229 HydrophobicContact CG1-SD 3.84Å; I225-M229 PolarHBondContact N-SD 2.91Å; M229-T237 CarbonylContact O-C 3.26Å; M229-T237 WeakPolarHBondContact O-CA 3.14Å; M229-F238 HydrophobicContact CE-CB 3.8Å; M229-F238 HydrophobicContact CE-CD1 3.66Å; M229-F238 HydrophobicContact CE-CD2 3.69Å; M229-F238 HydrophobicContact CE-CE1 4.12Å; M229-F238 HydrophobicContact CE-CE2 4.1Å; M229-F238 HydrophobicContact CE-CG 3.45Å; M229-F238 VanDerWaalsContact CE-CG 3.45Å; M229-F238 HydrophobicContact CE-CZ 4.32Å; M229-F238 HydrophobicContact CG-CB 3.64Å; M229-F238 HydrophobicContact CG-CD1 4.06Å; M229-F238 HydrophobicContact CG-CG 4.08Å; M229-F238 PolarHBondContact N-O 3.27Å; M229-F238 PolarHBondContact O-N 3.12Å; M229-W250 HydrophobicContact CE-CD2 4.3Å; M229-W250 HydrophobicContact CE-CE3 3.55Å; M229-W250 HydrophobicContact CE-CZ3 4.09Å; M229-W250 HydrophobicContact CG-CE3 4.49Å; M229-W250 HydrophobicContact CG-CZ3 4.1Å; M229-W250 HydrophobicContact SD-CE3 4.34Å; M229-W250 HydrophobicContact SD-CZ3 4.4Å
230	Y	96.9	Very high	96.1	Very high	32 Å²	32	34.7 Å²	34.7	13%	0.125	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.9	176.2	171.3	-105.2	0	0	0	108.8	P232 D235 A236 R390 R436	Y230-P232 HydrophobicContact CE1-CB 3.87Å; Y230-D235 PolarHBondContact OH-OD1 3.18Å; Y230-D235 VanDerWaalsContact OH-OD1 3.09Å; Y230-A236 WeakPolarHBondContact CA-O 3.48Å; Y230-A236 VanDerWaalsContact CD2-O 3.29Å; Y230-A236 WeakPolarHBondContact CD2-O 3.47Å; Y230-R390 VanDerWaalsContact CG-CZ 3.46Å; Y230-R436 WeakPolarHBondContact O-CA 3.18Å
231	D	97.4	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.3	172	-172.9	-47.8	0	0	0	108.3	T233 F234 D235 A236 W250 R435 R436	D231-T233 PolarHBondContact O-N 2.76Å; D231-T233 WeakPolarHBondContact OD1-CA 3.37Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.12Å; D231-T233 PolarHBondContact OD1-N 2.97Å; D231-F234 HydrophobicContact CB-CB 4Å; D231-F234 HydrophobicContact CB-CD2 3.61Å; D231-F234 HydrophobicContact CB-CE2 4.36Å; D231-F234 HydrophobicContact CB-CG 3.95Å; D231-F234 VanDerWaalsContact CG-CD2 3.49Å; D231-F234 PolarHBondContact O-N 3.47Å; D231-F234 PolarHBondContact OD1-N 3.12Å; D231-F234 VanDerWaalsContact OD1-N 3.15Å; D231-F234 WeakPolarHBondContact OD2-CE2 3.44Å; D231-D235 PolarHBondContact O-N 3.46Å; D231-A236 PolarHBondContact N-O 3.4Å; D231-A236 VanDerWaalsContact N-O 3.11Å; D231-W250 HydrophobicContact CB-CH2 3.68Å; D231-W250 HydrophobicContact CB-CZ3 3.65Å; D231-R435 IonicContact OD1-CZ 3.34Å; D231-R435 IonicContact OD1-NE 3.54Å; D231-R435 PolarHBondContact OD1-NE 3.35Å; D231-R435 IonicContact OD1-NH2 3.57Å; D231-R435 PolarHBondContact OD1-NH2 2.89Å; D231-R435 IonicContact OD2-CZ 3.66Å; D231-R435 IonicContact OD2-NE 2.74Å; D231-R435 PolarHBondContact OD2-NE 2.77Å; D231-R435 IonicContact OD2-NH2 2.63Å; D231-R435 PolarHBondContact OD2-NH2 3Å; D231-R436 HydrophobicContact CB-CG 3.91Å; D231-R436 IonicContact OD2-CZ 3.82Å; D231-R436 IonicContact OD2-NE 3.75Å; D231-R436 PolarHBondContact OD2-NE 2.85Å; D231-R436 IonicContact OD2-NH2 3.61Å; D231-R436 PolarHBondContact OD2-NH2 3.32Å
232	P	94.3	Very high	94.9	Very high	70 Å²	70	44.3 Å²	44.3	46%	0.455	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.9	-177.3	27.9	-35	0	0	0	113.4	Y230 R435	Y230-P232 HydrophobicContact CE1-CB 3.87Å; P232-R435 WeakPolarHBondContact CD-O 3.07Å; P232-R435 HydrophobicContact CG-CB 4.43Å
233	T	95.8	Very high	94.3	Very high	94 Å²	94	51.9 Å²	51.9	58%	0.577	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-34.2	175.8	-54.5	0	0	0	0	111.4	D231 R435	D231-T233 PolarHBondContact O-N 2.76Å; D231-T233 WeakPolarHBondContact OD1-CA 3.37Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.12Å; D231-T233 PolarHBondContact OD1-N 2.97Å; T233-R435 WeakPolarHBondContact OG1-CD 3.46Å; T233-R435 PolarHBondContact OG1-NE 3.21Å; T233-R435 PolarHBondContact OG1-NH1 3.09Å
234	F	95.7	Very high	94	Very high	54 Å²	54	54.6 Å²	54.6	24%	0.237	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.4	177.4	-58.9	-20.3	0	0	0	113.5	D231 A236 R249 W250 R435 R436	D231-F234 HydrophobicContact CB-CB 4Å; D231-F234 HydrophobicContact CB-CD2 3.61Å; D231-F234 HydrophobicContact CB-CE2 4.36Å; D231-F234 HydrophobicContact CB-CG 3.95Å; D231-F234 VanDerWaalsContact CG-CD2 3.49Å; D231-F234 PolarHBondContact O-N 3.47Å; D231-F234 PolarHBondContact OD1-N 3.12Å; D231-F234 VanDerWaalsContact OD1-N 3.15Å; D231-F234 WeakPolarHBondContact OD2-CE2 3.44Å; F234-A236 HydrophobicContact CB-CB 3.95Å; F234-A236 PolarHBondContact O-N 2.87Å; F234-R249 HydrophobicContact CD2-CG 3.96Å; F234-R249 HydrophobicContact CE2-CB 3.87Å; F234-R249 HydrophobicContact CE2-CG 3.55Å; F234-R249 WeakPolarHBondContact CE2-O 3.41Å; F234-R249 HydrophobicContact CZ-CB 3.84Å; F234-R249 HydrophobicContact CZ-CG 4.02Å; F234-W250 HydrophobicContact CD2-CH2 4.32Å; F234-W250 HydrophobicContact CD2-CZ2 4.28Å; F234-W250 HydrophobicContact CD2-CZ3 4.48Å; F234-R435 VanDerWaalsContact CE1-NH2 3.29Å; F234-R436 VanDerWaalsContact CE2-NH2 3.25Å
235	D	94.2	Very high	93.6	Very high	127 Å²	127	57 Å²	57	68%	0.679	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	48.1	-167.5	-169.6	22	0	0	0	111.6	Y230 D231	Y230-D235 PolarHBondContact OH-OD1 3.18Å; Y230-D235 VanDerWaalsContact OH-OD1 3.09Å; D231-D235 PolarHBondContact O-N 3.46Å
236	A	95.9	Very high	93.2	Very high	11 Å²	11	58.5 Å²	58.5	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.5	-172.3	0	0	0	0	0	111.1	Y230 D231 F234 W250	Y230-A236 WeakPolarHBondContact CA-O 3.48Å; Y230-A236 VanDerWaalsContact CD2-O 3.29Å; Y230-A236 WeakPolarHBondContact CD2-O 3.47Å; D231-A236 PolarHBondContact N-O 3.4Å; D231-A236 VanDerWaalsContact N-O 3.11Å; F234-A236 HydrophobicContact CB-CB 3.95Å; F234-A236 PolarHBondContact O-N 2.87Å; A236-W250 HydrophobicContact CB-CH2 4.42Å; A236-W250 HydrophobicContact CB-CZ2 3.84Å; A236-W250 WeakPolarHBondContact O-CH2 3.33Å
237	T	95.4	Very high	93.1	Very high	66 Å²	66	60.5 Å²	60.5	41%	0.405	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.4	177.2	-60.1	0	0	0	0	110.5	M229	M229-T237 CarbonylContact O-C 3.26Å; M229-T237 WeakPolarHBondContact O-CA 3.14Å
238	F	95.9	Very high	93	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.6	168	179.1	-79.5	0	0	0	109.7	F207 S228 M229 K245 W250 W251	F207-F238 HydrophobicContact CD1-CE1 4Å; F207-F238 AromaticContact CD1-CZ 3.54Å; F207-F238 HydrophobicContact CD1-CZ 3.54Å; F207-F238 HydrophobicContact CE1-CE1 4.31Å; F207-F238 AromaticContact CE1-CZ 3.65Å; F207-F238 HydrophobicContact CE1-CZ 3.65Å; S228-F238 VanDerWaalsContact CA-O 3.28Å; S228-F238 WeakPolarHBondContact CA-O 3.49Å; M229-F238 HydrophobicContact CE-CB 3.8Å; M229-F238 HydrophobicContact CE-CD1 3.66Å; M229-F238 HydrophobicContact CE-CD2 3.69Å; M229-F238 HydrophobicContact CE-CE1 4.12Å; M229-F238 HydrophobicContact CE-CE2 4.1Å; M229-F238 HydrophobicContact CE-CG 3.45Å; M229-F238 VanDerWaalsContact CE-CG 3.45Å; M229-F238 HydrophobicContact CE-CZ 4.32Å; M229-F238 HydrophobicContact CG-CB 3.64Å; M229-F238 HydrophobicContact CG-CD1 4.06Å; M229-F238 HydrophobicContact CG-CG 4.08Å; M229-F238 PolarHBondContact N-O 3.27Å; M229-F238 PolarHBondContact O-N 3.12Å; F238-K245 HydrophobicContact CD2-CB 4.03Å; F238-K245 VanDerWaalsContact CE2-CA 3.42Å; F238-K245 HydrophobicContact CE2-CB 3.43Å; F238-K245 VanDerWaalsContact CE2-CB 3.43Å; F238-K245 HydrophobicContact CZ-CB 3.75Å; F238-W250 HydrophobicContact CB-CD2 3.98Å; F238-W250 HydrophobicContact CB-CE3 3.94Å; F238-W250 HydrophobicContact CB-CH2 3.83Å; F238-W250 HydrophobicContact CB-CZ2 3.88Å; F238-W250 HydrophobicContact CB-CZ3 3.85Å; F238-W250 HydrophobicContact CD2-CB 4.14Å; F238-W250 AromaticContact CD2-CD2 3.87Å; F238-W250 HydrophobicContact CD2-CD2 3.87Å; F238-W250 HydrophobicContact CD2-CE3 4.32Å; F238-W250 AromaticContact CD2-CG 3.77Å; F238-W250 HydrophobicContact CD2-CG 3.77Å; F238-W250 HydrophobicContact CE2-CB 4.37Å; F238-W250 HydrophobicContact CE2-CG 4.43Å; F238-W250 HydrophobicContact CG-CD2 4.37Å; F238-W250 HydrophobicContact CG-CE3 4.47Å; F238-W251 HydrophobicContact CE2-CZ2 4.05Å; F238-W251 HydrophobicContact CZ-CH2 4.5Å; F238-W251 HydrophobicContact CZ-CZ2 4.23Å
239	N	91.9	Very high	93	Very high	52 Å²	52	69.1 Å²	69.1	28%	0.278	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164	166.8	66.1	68.6	0	0	0	111.3	N227 R241 S242	N227-N239 WeakPolarHBondContact O-CA 3.46Å; N239-R241 PolarHBondContact O-N 3.4Å; N239-R241 VanDerWaalsContact O-N 3.08Å; N239-R241 PolarHBondContact OD1-N 3.17Å; N239-S242 PolarHBondContact O-N 2.88Å; N239-S242 WeakPolarHBondContact OD1-CB 3.45Å; N239-S242 PolarHBondContact OD1-N 3.49Å
240	L	85.6	Confident	93	Very high	70 Å²	70	69 Å²	69	37%	0.366	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.2	-175.6	-61.8	177.8	0	0	0	115	F207 N227 K245	F207-L240 HydrophobicContact CD2-CD2 3.28Å; F207-L240 HydrophobicContact CE2-CD2 3.18Å; F207-L240 HydrophobicContact CG-CD2 4.12Å; F207-L240 HydrophobicContact CZ-CD2 3.93Å; N227-L240 HydrophobicContact CB-CD1 4.05Å; N227-L240 HydrophobicContact CB-CD2 3.95Å; N227-L240 HydrophobicContact CB-CG 3.97Å; N227-L240 PolarHBondContact O-N 2.84Å; L240-K245 PolarHBondContact O-NZ 3.16Å
241	R	84.8	Confident	93	Very high	241 Å²	241	70.9 Å²	70.9	91%	0.909	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-15.3	-175.1	-62.9	-176.1	-179.2	177.5	0.7	113.4	N239	N239-R241 PolarHBondContact O-N 3.4Å; N239-R241 VanDerWaalsContact O-N 3.08Å; N239-R241 PolarHBondContact OD1-N 3.17Å
242	S	85.8	Confident	93.1	Very high	32 Å²	32	72.2 Å²	72.2	22%	0.224	36%	0.355	C	S	.	.	S	Bend	trans	-79.6	149.5	-176.5	-179.4	0	0	0	0	112	N239 E244 K245	N239-S242 PolarHBondContact O-N 2.88Å; N239-S242 WeakPolarHBondContact OD1-CB 3.45Å; N239-S242 PolarHBondContact OD1-N 3.49Å; S242-E244 PolarHBondContact O-N 3.45Å; S242-E244 WeakPolarHBondContact OG-CB 3.4Å; S242-E244 PolarHBondContact OG-N 2.85Å; S242-E244 VanDerWaalsContact OG-N 3.07Å; S242-K245 VanDerWaalsContact O-CG 3.27Å; S242-K245 WeakPolarHBondContact O-CG 3.4Å; S242-K245 PolarHBondContact O-N 2.84Å
243	R	87.6	Confident	93.2	Very high	159 Å²	159	71.4 Å²	71.4	60%	0.6	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.6	168	-66.3	-169.7	76.1	-176.2	5.4	112.5	K245 L246	R243-K245 PolarHBondContact O-N 2.66Å; R243-K245 VanDerWaalsContact O-N 3.11Å; R243-L246 WeakPolarHBondContact O-CB 3.33Å; R243-L246 PolarHBondContact O-N 3.18Å
244	E	92.1	Very high	93.4	Very high	61 Å²	61	68.8 Å²	68.8	29%	0.285	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-53.5	-31.5	174.3	-80.9	-61.9	146.8	0	0	112.6	S242 L246 S247 R249 W250	S242-E244 PolarHBondContact O-N 3.45Å; S242-E244 WeakPolarHBondContact OG-CB 3.4Å; S242-E244 PolarHBondContact OG-N 2.85Å; S242-E244 VanDerWaalsContact OG-N 3.07Å; E244-L246 PolarHBondContact O-N 2.93Å; E244-L246 VanDerWaalsContact O-N 3.11Å; E244-S247 WeakPolarHBondContact O-CB 3.44Å; E244-S247 PolarHBondContact O-N 2.67Å; E244-R249 VanDerWaalsContact CD-NH2 3.34Å; E244-R249 IonicContact OE1-NH2 3.24Å; E244-R249 PolarHBondContact OE1-NH2 2.81Å; E244-R249 IonicContact OE2-CZ 3.39Å; E244-R249 IonicContact OE2-NE 3.29Å; E244-R249 IonicContact OE2-NH2 2.78Å; E244-R249 PolarHBondContact OE2-NH2 3.4Å; E244-W250 PolarHBondContact O-NE1 3.25Å; E244-W250 PolarHBondContact OE2-NE1 2.91Å
245	K	89.9	Confident	93.5	Very high	49 Å²	49	66.5 Å²	66.5	21%	0.213	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-61.8	-20.2	177	79.9	-170.9	176.3	176.1	0	113.8	F238 L240 S242 R243 S247 W251	F238-K245 HydrophobicContact CD2-CB 4.03Å; F238-K245 VanDerWaalsContact CE2-CA 3.42Å; F238-K245 HydrophobicContact CE2-CB 3.43Å; F238-K245 VanDerWaalsContact CE2-CB 3.43Å; F238-K245 HydrophobicContact CZ-CB 3.75Å; L240-K245 PolarHBondContact O-NZ 3.16Å; S242-K245 VanDerWaalsContact O-CG 3.27Å; S242-K245 WeakPolarHBondContact O-CG 3.4Å; S242-K245 PolarHBondContact O-N 2.84Å; R243-K245 PolarHBondContact O-N 2.66Å; R243-K245 VanDerWaalsContact O-N 3.11Å; K245-S247 VanDerWaalsContact C-N 3.34Å; K245-W251 VanDerWaalsContact O-CZ2 3.29Å; K245-W251 WeakPolarHBondContact O-CZ2 3.32Å; K245-W251 PolarHBondContact O-NE1 2.98Å
246	L	90.2	Very high	93.6	Very high	33 Å²	33	60.5 Å²	60.5	17%	0.173	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-83.8	-12.5	177.9	-51.7	179.5	0	0	0	112.3	T78 Y79 R243 E244 H248	T78-L246 HydrophobicContact CG2-CD1 4.15Å; T78-L246 HydrophobicContact CG2-CD2 3.54Å; T78-L246 HydrophobicContact CG2-CG 4.46Å; Y79-L246 HydrophobicContact CD1-CD1 4.01Å; Y79-L246 HydrophobicContact CE1-CB 4.03Å; Y79-L246 HydrophobicContact CE1-CD1 3.91Å; Y79-L246 HydrophobicContact CE1-CG 4.38Å; R243-L246 WeakPolarHBondContact O-CB 3.33Å; R243-L246 PolarHBondContact O-N 3.18Å; E244-L246 PolarHBondContact O-N 2.93Å; E244-L246 VanDerWaalsContact O-N 3.11Å; L246-H248 PolarHBondContact O-N 2.78Å
247	S	94.5	Very high	93.7	Very high	44 Å²	44	62.5 Å²	62.5	31%	0.308	30%	0.304	S	S	.	.			trans	-74.9	122.8	178.3	-173.5	0	0	0	0	110.6	E244 K245 R249 W250 W251	E244-S247 WeakPolarHBondContact O-CB 3.44Å; E244-S247 PolarHBondContact O-N 2.67Å; K245-S247 VanDerWaalsContact C-N 3.34Å; S247-R249 PolarHBondContact O-N 3.2Å; S247-R249 VanDerWaalsContact O-N 3.08Å; S247-R249 WeakPolarHBondContact OG-CG 3.35Å; S247-W250 PolarHBondContact O-N 2.98Å; S247-W251 VanDerWaalsContact O-CD1 3.26Å
248	H	95.1	Very high	93.7	Very high	152 Å²	152	62.3 Å²	62.3	70%	0.704	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.8	-22.3	-177.6	-62.7	169.8	0	0	0	113.5	L246 W250 W251	L246-H248 PolarHBondContact O-N 2.78Å; H248-W250 PolarHBondContact O-N 3.43Å; H248-W251 PolarHBondContact O-N 2.95Å
249	R	96.8	Very high	93.9	Very high	102 Å²	102	62.3 Å²	62.3	39%	0.385	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.4	-20	179.1	73.5	-174.2	173.1	167.5	-4	114.7	F234 E244 S247 R436	F234-R249 HydrophobicContact CD2-CG 3.96Å; F234-R249 HydrophobicContact CE2-CB 3.87Å; F234-R249 HydrophobicContact CE2-CG 3.55Å; F234-R249 WeakPolarHBondContact CE2-O 3.41Å; F234-R249 HydrophobicContact CZ-CB 3.84Å; F234-R249 HydrophobicContact CZ-CG 4.02Å; E244-R249 VanDerWaalsContact CD-NH2 3.34Å; E244-R249 IonicContact OE1-NH2 3.24Å; E244-R249 PolarHBondContact OE1-NH2 2.81Å; E244-R249 IonicContact OE2-CZ 3.39Å; E244-R249 IonicContact OE2-NE 3.29Å; E244-R249 IonicContact OE2-NH2 2.78Å; E244-R249 PolarHBondContact OE2-NH2 3.4Å; S247-R249 PolarHBondContact O-N 3.2Å; S247-R249 VanDerWaalsContact O-N 3.08Å; S247-R249 WeakPolarHBondContact OG-CG 3.35Å; R249-R436 PolarHBondContact O-NH2 2.97Å
250	W	97.5	Very high	94.1	Very high	1 Å²	1	59.9 Å²	59.9	0%	0.004	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-80.5	-29.1	178	-66.1	104.6	0	0	0	112.9	I224 M229 D231 F234 A236 F238 E244 S247 H248 R436	I224-W250 HydrophobicContact CD1-CB 4.12Å; I224-W250 VanDerWaalsContact CD1-O 3.29Å; I224-W250 WeakPolarHBondContact CD1-O 3.21Å; M229-W250 HydrophobicContact CE-CD2 4.3Å; M229-W250 HydrophobicContact CE-CE3 3.55Å; M229-W250 HydrophobicContact CE-CZ3 4.09Å; M229-W250 HydrophobicContact CG-CE3 4.49Å; M229-W250 HydrophobicContact CG-CZ3 4.1Å; M229-W250 HydrophobicContact SD-CE3 4.34Å; M229-W250 HydrophobicContact SD-CZ3 4.4Å; D231-W250 HydrophobicContact CB-CH2 3.68Å; D231-W250 HydrophobicContact CB-CZ3 3.65Å; F234-W250 HydrophobicContact CD2-CH2 4.32Å; F234-W250 HydrophobicContact CD2-CZ2 4.28Å; F234-W250 HydrophobicContact CD2-CZ3 4.48Å; A236-W250 HydrophobicContact CB-CH2 4.42Å; A236-W250 HydrophobicContact CB-CZ2 3.84Å; A236-W250 WeakPolarHBondContact O-CH2 3.33Å; F238-W250 HydrophobicContact CB-CD2 3.98Å; F238-W250 HydrophobicContact CB-CE3 3.94Å; F238-W250 HydrophobicContact CB-CH2 3.83Å; F238-W250 HydrophobicContact CB-CZ2 3.88Å; F238-W250 HydrophobicContact CB-CZ3 3.85Å; F238-W250 HydrophobicContact CD2-CB 4.14Å; F238-W250 AromaticContact CD2-CD2 3.87Å; F238-W250 HydrophobicContact CD2-CD2 3.87Å; F238-W250 HydrophobicContact CD2-CE3 4.32Å; F238-W250 AromaticContact CD2-CG 3.77Å; F238-W250 HydrophobicContact CD2-CG 3.77Å; F238-W250 HydrophobicContact CE2-CB 4.37Å; F238-W250 HydrophobicContact CE2-CG 4.43Å; F238-W250 HydrophobicContact CG-CD2 4.37Å; F238-W250 HydrophobicContact CG-CE3 4.47Å; E244-W250 PolarHBondContact O-NE1 3.25Å; E244-W250 PolarHBondContact OE2-NE1 2.91Å; S247-W250 PolarHBondContact O-N 2.98Å; H248-W250 PolarHBondContact O-N 3.43Å; W250-R436 PolarHBondContact O-NH1 2.92Å
251	W	97.3	Very high	94.6	Very high	70 Å²	70	61.1 Å²	61.1	27%	0.265	29%	0.294	S	S	.	.			trans	-102.1	96.2	-163	-53.7	91.2	0	0	0	110.8	F207 Y211 I224 F238 K245 S247 H248	F207-W251 AromaticContact CD1-CH2 3.54Å; F207-W251 HydrophobicContact CD1-CH2 3.54Å; F207-W251 HydrophobicContact CD1-CZ2 4.33Å; F207-W251 HydrophobicContact CD1-CZ3 4.22Å; F207-W251 AromaticContact CE1-CH2 3.45Å; F207-W251 HydrophobicContact CE1-CH2 3.45Å; F207-W251 VanDerWaalsContact CE1-CH2 3.45Å; F207-W251 AromaticContact CE1-CZ2 3.99Å; F207-W251 HydrophobicContact CE1-CZ2 3.99Å; Y211-W251 HydrophobicContact CD1-CE3 4.27Å; Y211-W251 AromaticContact CD2-CE3 3.64Å; Y211-W251 HydrophobicContact CD2-CE3 3.64Å; Y211-W251 AromaticContact CD2-CZ3 3.74Å; Y211-W251 HydrophobicContact CD2-CZ3 3.74Å; Y211-W251 HydrophobicContact CE1-CE3 4.16Å; Y211-W251 AromaticContact CE2-CE3 3.53Å; Y211-W251 HydrophobicContact CE2-CE3 3.53Å; Y211-W251 HydrophobicContact CE2-CZ3 4.08Å; Y211-W251 HydrophobicContact CG-CE3 4.04Å; Y211-W251 HydrophobicContact CG-CZ3 4.13Å; Y211-W251 AromaticContact CZ-CE3 3.83Å; I224-W251 HydrophobicContact CD1-CD2 3.76Å; I224-W251 HydrophobicContact CD1-CE3 3.58Å; I224-W251 HydrophobicContact CD1-CG 4.27Å; I224-W251 HydrophobicContact CD1-CZ3 4.03Å; I224-W251 HydrophobicContact CG1-CD2 4.3Å; I224-W251 HydrophobicContact CG1-CE3 3.62Å; I224-W251 HydrophobicContact CG1-CZ3 3.92Å; F238-W251 HydrophobicContact CE2-CZ2 4.05Å; F238-W251 HydrophobicContact CZ-CH2 4.5Å; F238-W251 HydrophobicContact CZ-CZ2 4.23Å; K245-W251 VanDerWaalsContact O-CZ2 3.29Å; K245-W251 WeakPolarHBondContact O-CZ2 3.32Å; K245-W251 PolarHBondContact O-NE1 2.98Å; S247-W251 VanDerWaalsContact O-CD1 3.26Å; H248-W251 PolarHBondContact O-N 2.95Å
252	G	98.3	Very high	95.2	Very high	28 Å²	28	58.7 Å²	58.7	29%	0.289	28%	0.284	S	S	.	.			trans	-81.5	-175.4	175.6	0	0	0	0	0	113.2	Y211 H222	Y211-G252 WeakPolarHBondContact CE1-O 3.42Å; Y211-G252 PolarHBondContact OH-O 3.24Å; H222-G252 WeakPolarHBondContact O-CA 3.46Å; H222-G252 PolarHBondContact O-N 2.8Å
253	G	98	Very high	95.8	Very high	54 Å²	54	60.9 Å²	60.9	56%	0.557	29%	0.291	S	S	*	.	S	Bend	trans	66.7	-165.8	177	0	0	0	0	0	114.5
254	Q	98.4	Very high	96.2	Very high	38 Å²	38	56.7 Å²	56.7	18%	0.178	30%	0.297	C	S	.	.			trans	-132.8	103.3	178.3	-169.8	-178.4	-85.6	0	0	110.5	I258 T259 A514	Q254-I258 HydrophobicContact CG-CB 4Å; Q254-I258 HydrophobicContact CG-CG2 3.72Å; Q254-T259 PolarHBondContact NE2-OG1 3Å; Q254-A514 HydrophobicContact CB-CB 3.98Å
255	P	97.8	Very high	96.4	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	29%	0.288	C	S	.	.			trans	-71.3	162.7	-179.3	28.6	-34.5	0	0	0	112.3	Y211 A214 T215 W257 I258 T259	Y211-P255 HydrophobicContact CE2-CB 4.42Å; Y211-P255 HydrophobicContact CE2-CG 4.48Å; A214-P255 HydrophobicContact CB-CB 4.04Å; A214-P255 CarbonylContact O-C 3.52Å; A214-P255 WeakPolarHBondContact O-CA 3.44Å; T215-P255 HydrophobicContact CG2-CB 4.04Å; P255-W257 VanDerWaalsContact C-N 3.29Å; P255-W257 HydrophobicContact CB-CD2 3.86Å; P255-W257 VanDerWaalsContact CB-CE2 3.48Å; P255-W257 HydrophobicContact CB-CE3 4.13Å; P255-W257 HydrophobicContact CB-CH2 3.71Å; P255-W257 HydrophobicContact CB-CZ2 3.4Å; P255-W257 VanDerWaalsContact CB-CZ2 3.4Å; P255-W257 HydrophobicContact CB-CZ3 4.06Å; P255-W257 HydrophobicContact CG-CD2 4.1Å; P255-W257 HydrophobicContact CG-CH2 4.35Å; P255-W257 HydrophobicContact CG-CZ2 3.53Å; P255-W257 PolarHBondContact O-N 3.26Å; P255-I258 HydrophobicContact CG-CB 4.32Å; P255-I258 HydrophobicContact CG-CG1 3.81Å; P255-I258 PolarHBondContact O-N 3.44Å; P255-T259 PolarHBondContact O-N 2.93Å; P255-T259 PolarHBondContact O-OG1 3.26Å
256	I	97.9	Very high	96.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-37.2	-173.5	-171.7	60.3	0	0	0	113.5	I164 A214 T259 A260 V299 Y502 M505 C506 L509 L511	I164-I256 HydrophobicContact CD1-CG2 4.28Å; A214-I256 PolarHBondContact O-N 3.48Å; I256-T259 WeakPolarHBondContact O-CB 3.28Å; I256-T259 PolarHBondContact O-N 2.85Å; I256-A260 WeakPolarHBondContact O-CB 3.3Å; I256-A260 PolarHBondContact O-N 2.85Å; I256-V299 HydrophobicContact CG1-CG1 4.49Å; I256-Y502 HydrophobicContact CB-CD2 4.29Å; I256-Y502 HydrophobicContact CB-CE2 4.26Å; I256-Y502 HydrophobicContact CD1-CD2 4.4Å; I256-Y502 HydrophobicContact CD1-CE2 4.19Å; I256-M505 HydrophobicContact CB-CE 4.36Å; I256-M505 HydrophobicContact CD1-CB 4.09Å; I256-M505 HydrophobicContact CG1-CB 4.19Å; I256-M505 HydrophobicContact CG2-CE 4.39Å; I256-C506 VanDerWaalsContact CD1-SG 3.57Å; I256-L509 HydrophobicContact CD1-CD1 4.32Å; I256-L509 HydrophobicContact CG1-CD1 4.42Å; I256-L511 HydrophobicContact CD1-CD1 4.14Å
257	W	95.9	Very high	96.9	Very high	53 Å²	53	56.2 Å²	56.2	20%	0.201	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-37.8	176.9	51.4	89.5	0	0	0	112.4	A214 P255 L261 A267 T269 F271	A214-W257 HydrophobicContact CB-CH2 3.72Å; A214-W257 HydrophobicContact CB-CZ3 3.62Å; P255-W257 VanDerWaalsContact C-N 3.29Å; P255-W257 HydrophobicContact CB-CD2 3.86Å; P255-W257 VanDerWaalsContact CB-CE2 3.48Å; P255-W257 HydrophobicContact CB-CE3 4.13Å; P255-W257 HydrophobicContact CB-CH2 3.71Å; P255-W257 HydrophobicContact CB-CZ2 3.4Å; P255-W257 VanDerWaalsContact CB-CZ2 3.4Å; P255-W257 HydrophobicContact CB-CZ3 4.06Å; P255-W257 HydrophobicContact CG-CD2 4.1Å; P255-W257 HydrophobicContact CG-CH2 4.35Å; P255-W257 HydrophobicContact CG-CZ2 3.53Å; P255-W257 PolarHBondContact O-N 3.26Å; W257-L261 WeakPolarHBondContact O-CB 3.19Å; W257-L261 WeakPolarHBondContact O-CG 3.41Å; W257-L261 PolarHBondContact O-N 2.88Å; W257-A267 HydrophobicContact CB-CB 3.69Å; W257-T269 HydrophobicContact CB-CG2 4.15Å; W257-T269 HydrophobicContact CD2-CG2 4.23Å; W257-T269 HydrophobicContact CE3-CG2 4.08Å; W257-T269 HydrophobicContact CG-CG2 4.29Å; W257-F271 HydrophobicContact CE3-CE2 4.41Å; W257-F271 HydrophobicContact CH2-CD2 4.24Å; W257-F271 HydrophobicContact CH2-CE2 4.08Å; W257-F271 HydrophobicContact CH2-CZ 4.49Å; W257-F271 AromaticContact CZ3-CD2 4Å; W257-F271 HydrophobicContact CZ3-CD2 4Å; W257-F271 AromaticContact CZ3-CE2 3.58Å; W257-F271 HydrophobicContact CZ3-CE2 3.58Å; W257-F271 HydrophobicContact CZ3-CZ 4.21Å
258	I	97.1	Very high	96.9	Very high	62 Å²	62	54.4 Å²	54.4	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-70	-38.2	173.6	-60.4	-59.5	0	0	0	110.8	Q254 P255 A260 L261 R262	Q254-I258 HydrophobicContact CG-CB 4Å; Q254-I258 HydrophobicContact CG-CG2 3.72Å; P255-I258 HydrophobicContact CG-CB 4.32Å; P255-I258 HydrophobicContact CG-CG1 3.81Å; P255-I258 PolarHBondContact O-N 3.44Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 3.28Å; I258-L261 HydrophobicContact CD1-CD1 4.43Å; I258-L261 PolarHBondContact O-N 3.08Å; I258-R262 HydrophobicContact CG2-CG 4.35Å; I258-R262 WeakPolarHBondContact O-CB 3.34Å; I258-R262 WeakPolarHBondContact O-CG 3.43Å; I258-R262 PolarHBondContact O-N 3.14Å
259	T	98.4	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-42.3	176.7	-53.6	0	0	0	0	111.6	Q254 P255 I256 Q263 Y502 L511	Q254-T259 PolarHBondContact NE2-OG1 3Å; P255-T259 PolarHBondContact O-N 2.93Å; P255-T259 PolarHBondContact O-OG1 3.26Å; I256-T259 WeakPolarHBondContact O-CB 3.28Å; I256-T259 PolarHBondContact O-N 2.85Å; T259-Q263 VanDerWaalsContact CG2-NE2 3.33Å; T259-Q263 PolarHBondContact O-N 3.07Å; T259-Q263 PolarHBondContact O-NE2 2.74Å; T259-Q263 VanDerWaalsContact O-NE2 3.17Å; T259-Y502 WeakPolarHBondContact CG2-OH 3.37Å; T259-Y502 PolarHBondContact OG1-OH 2.86Å; T259-L511 HydrophobicContact CG2-CD1 4.45Å
260	A	97.4	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-51.1	175	0	0	0	0	0	111.7	I256 I258 R262 Q263 G264 L265 V299 L511	I256-A260 WeakPolarHBondContact O-CB 3.3Å; I256-A260 PolarHBondContact O-N 2.85Å; I258-A260 VanDerWaalsContact C-N 3.32Å; I258-A260 PolarHBondContact O-N 3.28Å; A260-R262 VanDerWaalsContact C-N 3.34Å; A260-R262 PolarHBondContact O-N 2.96Å; A260-Q263 CarbonylContact O-C 3.58Å; A260-Q263 PolarHBondContact O-N 3.25Å; A260-G264 PolarHBondContact O-N 2.98Å; A260-L265 CarbonylContact C-O 3.53Å; A260-L265 VanDerWaalsContact C-O 3.24Å; A260-L265 HydrophobicContact CB-CB 3.99Å; A260-L265 PolarHBondContact O-N 3.02Å; A260-V299 HydrophobicContact CB-CG2 3.75Å; A260-L511 HydrophobicContact CB-CD1 4Å
261	L	96.1	Very high	94.5	Very high	97 Å²	97	45.9 Å²	45.9	51%	0.508	25%	0.253	S	S	.	.	H	α-helix	trans	-58.4	-44.1	180	-72.6	169.7	0	0	0	112.2	W257 I258 Q263 G264 L265	W257-L261 WeakPolarHBondContact O-CB 3.19Å; W257-L261 WeakPolarHBondContact O-CG 3.41Å; W257-L261 PolarHBondContact O-N 2.88Å; I258-L261 HydrophobicContact CD1-CD1 4.43Å; I258-L261 PolarHBondContact O-N 3.08Å; L261-Q263 PolarHBondContact O-N 2.89Å; L261-Q263 VanDerWaalsContact O-N 3.16Å; L261-G264 PolarHBondContact O-N 3.25Å; L261-L265 VanDerWaalsContact CA-O 3.28Å; L261-L265 WeakPolarHBondContact CA-O 3.37Å; L261-L265 PolarHBondContact N-O 3.47Å
262	R	98.1	Very high	93	Very high	189 Å²	189	44.9 Å²	44.9	71%	0.713	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	177.4	-75.9	-179.2	170.2	-159.2	-9.5	114	I258 A260	I258-R262 HydrophobicContact CG2-CG 4.35Å; I258-R262 WeakPolarHBondContact O-CB 3.34Å; I258-R262 WeakPolarHBondContact O-CG 3.43Å; I258-R262 PolarHBondContact O-N 3.14Å; A260-R262 VanDerWaalsContact C-N 3.34Å; A260-R262 PolarHBondContact O-N 2.96Å
263	Q	98	Very high	91.9	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	21.2	-178.9	-69.3	177.9	81.2	0	0	111.9	T259 A260 L261 L511 K512	T259-Q263 VanDerWaalsContact CG2-NE2 3.33Å; T259-Q263 PolarHBondContact O-N 3.07Å; T259-Q263 PolarHBondContact O-NE2 2.74Å; T259-Q263 VanDerWaalsContact O-NE2 3.17Å; A260-Q263 CarbonylContact O-C 3.58Å; A260-Q263 PolarHBondContact O-N 3.25Å; L261-Q263 PolarHBondContact O-N 2.89Å; L261-Q263 VanDerWaalsContact O-N 3.16Å; Q263-L511 HydrophobicContact CB-CD2 3.62Å; Q263-L511 HydrophobicContact CG-CD2 4.37Å; Q263-K512 PolarHBondContact NE2-O 3.19Å
264	G	96.1	Very high	90.9	Very high	71 Å²	71	46.4 Å²	46.4	73%	0.732	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	10.8	170.9	0	0	0	0	0	115.5	A260 L261	A260-G264 PolarHBondContact O-N 2.98Å; L261-G264 PolarHBondContact O-N 3.25Å
265	L	96	Very high	90.2	Very high	16 Å²	16	47.3 Å²	47.3	8%	0.084	26%	0.256	C	S	.	.			trans	-100.4	136.7	173.8	-61.1	-171.9	0	0	0	111.1	A260 L261 Y298 L509 L511	A260-L265 CarbonylContact C-O 3.53Å; A260-L265 VanDerWaalsContact C-O 3.24Å; A260-L265 HydrophobicContact CB-CB 3.99Å; A260-L265 PolarHBondContact O-N 3.02Å; L261-L265 VanDerWaalsContact CA-O 3.28Å; L261-L265 WeakPolarHBondContact CA-O 3.37Å; L261-L265 PolarHBondContact N-O 3.47Å; L265-Y298 HydrophobicContact CD2-CD2 4.05Å; L265-Y298 HydrophobicContact CD2-CG 4.42Å; L265-L509 HydrophobicContact CD1-CB 4.2Å; L265-L509 HydrophobicContact CD1-CD2 4.4Å; L265-L511 HydrophobicContact CD1-CD1 4.38Å; L265-L511 HydrophobicContact CD1-CD2 3.75Å; L265-L511 HydrophobicContact CD1-CG 4.19Å; L265-L511 HydrophobicContact CG-CD2 4.21Å
266	K	95.8	Very high	89.8	Confident	93 Å²	93	47.1 Å²	47.1	40%	0.404	25%	0.254	S	S	.	.			trans	-77.7	144.2	171.7	-70.3	-177.3	173.3	-174.6	0	110.8	G294 E295 P297 Y298 V299	K266-G294 WeakPolarHBondContact CD-O 3.44Å; K266-G294 WeakPolarHBondContact CE-O 3.42Å; K266-G294 PolarHBondContact NZ-O 3.34Å; K266-E295 VanDerWaalsContact CD-O 3.26Å; K266-E295 WeakPolarHBondContact CD-O 2.9Å; K266-P297 HydrophobicContact CB-CB 4.36Å; K266-P297 WeakPolarHBondContact O-CA 3.41Å; K266-Y298 PolarHBondContact O-N 3.36Å; K266-V299 PolarHBondContact O-N 3.09Å
267	A	95.3	Very high	89.6	Confident	25 Å²	25	49.5 Å²	49.5	21%	0.207	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.7	178.8	0	0	0	0	0	110.3	W257 V299	W257-A267 HydrophobicContact CB-CB 3.69Å; A267-V299 CarbonylContact C-O 3.07Å; A267-V299 WeakPolarHBondContact CA-O 3.39Å; A267-V299 HydrophobicContact CB-CB 3.99Å
268	A	93.8	Very high	89.5	Confident	5 Å²	5	48.4 Å²	48.4	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.8	175.8	0	0	0	0	0	110.1	L62 W288 P297 V299 Y300 A301	L62-A268 HydrophobicContact CD2-CB 3.62Å; A268-W288 HydrophobicContact CB-CD2 4Å; A268-W288 HydrophobicContact CB-CE3 3.45Å; A268-W288 VanDerWaalsContact CB-CE3 3.45Å; A268-W288 HydrophobicContact CB-CH2 4.05Å; A268-W288 HydrophobicContact CB-CZ3 3.48Å; A268-W288 VanDerWaalsContact CB-CZ3 3.48Å; A268-P297 HydrophobicContact CB-CB 4.05Å; A268-P297 HydrophobicContact CB-CG 3.66Å; A268-V299 PolarHBondContact N-O 3.07Å; A268-Y300 HydrophobicContact CB-CD1 4.41Å; A268-Y300 VanDerWaalsContact O-CA 3.31Å; A268-Y300 WeakPolarHBondContact O-CA 3.38Å; A268-A301 PolarHBondContact O-N 3.37Å
269	T	87.3	Confident	89.4	Confident	32 Å²	32	48.3 Å²	48.3	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127	-168.4	60.9	0	0	0	0	112.2	N74 W257 A301	N74-T269 PolarHBondContact ND2-O 2.04Å; W257-T269 HydrophobicContact CB-CG2 4.15Å; W257-T269 HydrophobicContact CD2-CG2 4.23Å; W257-T269 HydrophobicContact CE3-CG2 4.08Å; W257-T269 HydrophobicContact CG-CG2 4.29Å; T269-A301 CarbonylContact C-O 3.51Å; T269-A301 WeakPolarHBondContact CA-O 3.1Å; T269-A301 HydrophobicContact CG2-CB 4.06Å
270	F	82.4	Confident	89.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	66.9	166.1	-85.7	-85.5	0	0	0	110.2	Y60 N74 P273 I276 R281 T284 W288 A301 M302 H303	Y60-F270 HydrophobicContact CD1-CZ 4.34Å; N74-F270 HydrophobicContact CB-CD1 3.98Å; N74-F270 HydrophobicContact CB-CE1 3.47Å; N74-F270 VanDerWaalsContact CB-CE1 3.47Å; N74-F270 HydrophobicContact CB-CZ 3.91Å; N74-F270 WeakPolarHBondContact ND2-CD1 3.46Å; N74-F270 WeakPolarHBondContact ND2-CG 3.09Å; F270-P273 HydrophobicContact CB-CG 4.35Å; F270-P273 HydrophobicContact CD1-CG 3.56Å; F270-P273 HydrophobicContact CE1-CG 4.37Å; F270-P273 HydrophobicContact CG-CG 4.44Å; F270-I276 HydrophobicContact CD1-CD1 4.45Å; F270-I276 HydrophobicContact CE1-CD1 3.81Å; F270-I276 HydrophobicContact CE1-CG2 4.15Å; F270-R281 HydrophobicContact CD1-CB 4.2Å; F270-R281 HydrophobicContact CD1-CG 3.68Å; F270-R281 HydrophobicContact CD2-CB 4.41Å; F270-R281 HydrophobicContact CE1-CB 4.42Å; F270-R281 HydrophobicContact CE1-CG 3.98Å; F270-R281 HydrophobicContact CG-CB 4.24Å; F270-R281 HydrophobicContact CG-CG 4.12Å; F270-T284 HydrophobicContact CE2-CG2 3.8Å; F270-T284 HydrophobicContact CZ-CG2 3.72Å; F270-W288 AromaticContact CD2-CH2 3.66Å; F270-W288 HydrophobicContact CD2-CH2 3.66Å; F270-W288 AromaticContact CD2-CZ3 3.57Å; F270-W288 HydrophobicContact CD2-CZ3 3.57Å; F270-W288 HydrophobicContact CE2-CE3 4.3Å; F270-W288 AromaticContact CE2-CH2 3.18Å; F270-W288 HydrophobicContact CE2-CH2 3.18Å; F270-W288 HydrophobicContact CE2-CZ2 4.05Å; F270-W288 AromaticContact CE2-CZ3 3.33Å; F270-W288 HydrophobicContact CE2-CZ3 3.33Å; F270-W288 AromaticContact CZ-CH2 3.91Å; F270-W288 HydrophobicContact CZ-CH2 3.91Å; F270-W288 HydrophobicContact CZ-CZ2 4.46Å; F270-W288 HydrophobicContact CZ-CZ3 4.44Å; F270-A301 PolarHBondContact N-O 2.82Å; F270-M302 HydrophobicContact CB-CB 4.45Å; F270-H303 PolarHBondContact O-N 3.17Å
271	F	70	Confident	89.2	Confident	43 Å²	43	49 Å²	49	19%	0.189	27%	0.269	C	S	.	.			trans	-94.7	109	175.3	-98.6	-78.8	0	0	0	111.2	L210 W257 A301	L210-F271 HydrophobicContact CB-CE1 4.07Å; L210-F271 HydrophobicContact CD1-CD1 4.41Å; L210-F271 HydrophobicContact CD1-CE1 3.78Å; L210-F271 HydrophobicContact CG-CE1 4.42Å; W257-F271 HydrophobicContact CE3-CE2 4.41Å; W257-F271 HydrophobicContact CH2-CD2 4.24Å; W257-F271 HydrophobicContact CH2-CE2 4.08Å; W257-F271 HydrophobicContact CH2-CZ 4.49Å; W257-F271 AromaticContact CZ3-CD2 4Å; W257-F271 HydrophobicContact CZ3-CD2 4Å; W257-F271 AromaticContact CZ3-CE2 3.58Å; W257-F271 HydrophobicContact CZ3-CE2 3.58Å; W257-F271 HydrophobicContact CZ3-CZ 4.21Å; F271-A301 HydrophobicContact CD2-CB 4.12Å; F271-A301 HydrophobicContact CE2-CB 3.65Å
272	W	65.9	Low	89.2	Confident	49 Å²	49	44.5 Å²	44.5	19%	0.186	25%	0.245	C	C	.	.	S	Bend	trans	65.9	28	177.2	-53	116.5	0	0	0	121	T206 F207 L210 V274 H303 E305	T206-W272 HydrophobicContact CG2-CH2 3.16Å; T206-W272 HydrophobicContact CG2-CZ2 3.51Å; T206-W272 HydrophobicContact CG2-CZ3 4.31Å; F207-W272 AromaticContact CD2-CZ2 3.96Å; F207-W272 HydrophobicContact CD2-CZ2 3.96Å; F207-W272 HydrophobicContact CE2-CD2 4.2Å; F207-W272 AromaticContact CE2-CE2 3.58Å; F207-W272 HydrophobicContact CE2-CH2 4.48Å; F207-W272 AromaticContact CE2-CZ2 3.7Å; F207-W272 HydrophobicContact CE2-CZ2 3.7Å; F207-W272 AromaticContact CE2-NE1 3.7Å; F207-W272 AromaticContact CZ-CD1 3.94Å; F207-W272 HydrophobicContact CZ-CD2 4.41Å; F207-W272 AromaticContact CZ-CE2 3.94Å; F207-W272 HydrophobicContact CZ-CG 4.39Å; F207-W272 HydrophobicContact CZ-CZ2 4.48Å; F207-W272 AromaticContact CZ-NE1 3.61Å; L210-W272 HydrophobicContact CD1-CH2 3.63Å; L210-W272 HydrophobicContact CD1-CZ2 3.15Å; L210-W272 HydrophobicContact CG-CZ2 4.34Å; W272-V274 VanDerWaalsContact C-N 3.29Å; W272-V274 PolarHBondContact O-N 3.4Å; W272-H303 AromaticContact CE3-CD2 3.77Å; W272-H303 AromaticContact CE3-NE2 3.99Å; W272-H303 AromaticContact CH2-CD2 3.59Å; W272-H303 AromaticContact CH2-CE1 3.46Å; W272-H303 VanDerWaalsContact CH2-CE1 3.46Å; W272-H303 WeakPolarHBondContact CH2-CE1 3.34Å; W272-H303 AromaticContact CH2-NE2 3.12Å; W272-H303 WeakPolarHBondContact CH2-NE2 3.42Å; W272-H303 AromaticContact CZ3-CD2 3.24Å; W272-H303 WeakPolarHBondContact CZ3-CD2 3.41Å; W272-H303 AromaticContact CZ3-CE1 3.83Å; W272-H303 AromaticContact CZ3-NE2 3Å; W272-H303 WeakPolarHBondContact CZ3-NE2 3.39Å; W272-E305 HydrophobicContact CZ3-CG 4.43Å
273	P	74.1	Confident	89.1	Confident	5 Å²	5	36 Å²	36	3%	0.032	21%	0.213	C	C	.	.			trans	-85.7	72.6	172.9	35.1	-30.6	0	0	0	111	N74 F270 A275 I276 R281	N74-P273 WeakPolarHBondContact O-CB 3.48Å; F270-P273 HydrophobicContact CB-CG 4.35Å; F270-P273 HydrophobicContact CD1-CG 3.56Å; F270-P273 HydrophobicContact CE1-CG 4.37Å; F270-P273 HydrophobicContact CG-CG 4.44Å; P273-A275 PolarHBondContact O-N 2.82Å; P273-I276 HydrophobicContact CB-CB 4.4Å; P273-I276 HydrophobicContact CB-CD1 3.74Å; P273-I276 HydrophobicContact CB-CG1 3.99Å; P273-I276 HydrophobicContact CG-CD1 4.2Å; P273-I276 PolarHBondContact O-N 3.29Å; P273-R281 PolarHBondContact O-NH2 2.86Å; P273-R281 VanDerWaalsContact O-NH2 3.09Å
274	V	76.2	Confident	89	Confident	109 Å²	109	32.3 Å²	32.3	66%	0.661	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-27.6	-177.3	-177.2	0	0	0	0	112.8	W272 I276	W272-V274 VanDerWaalsContact C-N 3.29Å; W272-V274 PolarHBondContact O-N 3.4Å; V274-I276 VanDerWaalsContact C-N 3.29Å; V274-I276 PolarHBondContact O-N 3.16Å
275	A	83.9	Confident	89	Confident	57 Å²	57	29 Å²	29	47%	0.471	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.4	179.5	0	0	0	0	0	115.1	K77 P273	K77-A275 HydrophobicContact CD-CB 3.56Å; P273-A275 PolarHBondContact O-N 2.82Å
276	I	90.7	Very high	89	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	-108.5	119.8	180	-55.3	-178.2	0	0	0	109	Y60 N74 L91 F270 P273 V274 R280 R281	Y60-I276 HydrophobicContact CE1-CD1 3.92Å; N74-I276 HydrophobicContact CB-CD1 3.95Å; L91-I276 HydrophobicContact CD2-CB 4.4Å; L91-I276 HydrophobicContact CD2-CG1 4.14Å; L91-I276 HydrophobicContact CD2-CG2 4.08Å; F270-I276 HydrophobicContact CD1-CD1 4.45Å; F270-I276 HydrophobicContact CE1-CD1 3.81Å; F270-I276 HydrophobicContact CE1-CG2 4.15Å; P273-I276 HydrophobicContact CB-CB 4.4Å; P273-I276 HydrophobicContact CB-CD1 3.74Å; P273-I276 HydrophobicContact CB-CG1 3.99Å; P273-I276 HydrophobicContact CG-CD1 4.2Å; P273-I276 PolarHBondContact O-N 3.29Å; V274-I276 VanDerWaalsContact C-N 3.29Å; V274-I276 PolarHBondContact O-N 3.16Å; I276-R280 HydrophobicContact CG2-CB 3.99Å; I276-R280 HydrophobicContact CG2-CG 3.77Å; I276-R281 HydrophobicContact CB-CG 4.47Å; I276-R281 HydrophobicContact CG2-CG 3.91Å; I276-R281 PolarHBondContact O-NE 3.41Å; I276-R281 PolarHBondContact O-NH2 3.42Å
277	P	93	Very high	89	Confident	52 Å²	52	27.5 Å²	27.5	34%	0.338	16%	0.156	S	C	.	.			trans	-59.2	148.7	177.9	-24.1	34.2	0	0	0	113.2	E279 R280 R281	P277-E279 VanDerWaalsContact C-N 3.3Å; P277-E279 PolarHBondContact O-N 3.19Å; P277-R280 WeakPolarHBondContact O-CB 3.42Å; P277-R280 PolarHBondContact O-N 3.11Å; P277-R280 VanDerWaalsContact O-N 3.1Å; P277-R281 WeakPolarHBondContact O-CG 3.36Å; P277-R281 PolarHBondContact O-N 3.34Å
278	L	93.9	Very high	89	Confident	30 Å²	30	27.2 Å²	27.2	16%	0.157	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-38.9	-176.6	-65.3	178.2	0	0	0	112.2	R280 R281 I282 M302 I331	L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.29Å; L278-R281 WeakPolarHBondContact O-CB 3.13Å; L278-R281 PolarHBondContact O-N 3.5Å; L278-R281 VanDerWaalsContact O-N 3.08Å; L278-I282 PolarHBondContact O-N 2.93Å; L278-M302 HydrophobicContact CB-CE 4.07Å; L278-M302 HydrophobicContact CD2-CE 3.66Å; L278-M302 HydrophobicContact CG-CE 4.43Å; L278-I331 HydrophobicContact CB-CD1 3.75Å; L278-I331 HydrophobicContact CB-CG1 3.92Å; L278-I331 HydrophobicContact CB-CG2 4.32Å; L278-I331 HydrophobicContact CD1-CG1 4.1Å
279	E	95.4	Very high	89.1	Confident	60 Å²	60	27 Å²	27	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-59.4	-43.1	176.4	-60.5	84	169.4	0	0	110.9	Y97 P277 R281 I282 L283 I331	Y97-E279 HydrophobicContact CD1-CB 3.57Å; Y97-E279 HydrophobicContact CD2-CB 3.7Å; Y97-E279 HydrophobicContact CD2-CG 3.87Å; Y97-E279 HydrophobicContact CE1-CB 3.93Å; Y97-E279 HydrophobicContact CE2-CB 4.05Å; Y97-E279 HydrophobicContact CE2-CG 4.44Å; Y97-E279 HydrophobicContact CG-CB 3.43Å; Y97-E279 VanDerWaalsContact CG-CB 3.43Å; Y97-E279 HydrophobicContact CG-CG 3.92Å; P277-E279 VanDerWaalsContact C-N 3.3Å; P277-E279 PolarHBondContact O-N 3.19Å; E279-R281 VanDerWaalsContact C-N 3.34Å; E279-R281 PolarHBondContact O-N 3.24Å; E279-I282 PolarHBondContact O-N 3.31Å; E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 2.85Å; E279-I331 HydrophobicContact CG-CD1 3.77Å
280	R	95.4	Very high	89.4	Confident	12 Å²	12	29.4 Å²	29.4	5%	0.045	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-37.4	175.2	177.7	57.4	64.2	-164.9	-0.1	111.7	Y60 L91 R92 Y97 A113 I276 P277 L278 I282 L283 T284	Y60-R280 HydrophobicContact CE2-CG 4.35Å; Y60-R280 WeakPolarHBondContact OH-CG 3.33Å; L91-R280 HydrophobicContact CD2-CG 4.28Å; R92-R280 PolarHBondContact O-NH2 2.99Å; Y97-R280 HydrophobicContact CE1-CB 4.23Å; A113-R280 PolarHBondContact O-NH1 3.19Å; A113-R280 PolarHBondContact O-NH2 3.21Å; I276-R280 HydrophobicContact CG2-CB 3.99Å; I276-R280 HydrophobicContact CG2-CG 3.77Å; P277-R280 WeakPolarHBondContact O-CB 3.42Å; P277-R280 PolarHBondContact O-N 3.11Å; P277-R280 VanDerWaalsContact O-N 3.1Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.29Å; R280-I282 VanDerWaalsContact C-N 3.34Å; R280-L283 PolarHBondContact O-N 2.98Å; R280-T284 WeakPolarHBondContact O-CB 3.35Å; R280-T284 PolarHBondContact O-N 2.93Å; R280-T284 PolarHBondContact O-OG1 3.01Å
281	R	95.3	Very high	90	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-43.8	175.1	-57.4	-179.3	-160	-176.6	3.2	110.5	F270 P273 I276 P277 L278 E279 T284 L285 M302 H303 E305	F270-R281 HydrophobicContact CD1-CB 4.2Å; F270-R281 HydrophobicContact CD1-CG 3.68Å; F270-R281 HydrophobicContact CD2-CB 4.41Å; F270-R281 HydrophobicContact CE1-CB 4.42Å; F270-R281 HydrophobicContact CE1-CG 3.98Å; F270-R281 HydrophobicContact CG-CB 4.24Å; F270-R281 HydrophobicContact CG-CG 4.12Å; P273-R281 PolarHBondContact O-NH2 2.86Å; P273-R281 VanDerWaalsContact O-NH2 3.09Å; I276-R281 HydrophobicContact CB-CG 4.47Å; I276-R281 HydrophobicContact CG2-CG 3.91Å; I276-R281 PolarHBondContact O-NE 3.41Å; I276-R281 PolarHBondContact O-NH2 3.42Å; P277-R281 WeakPolarHBondContact O-CG 3.36Å; P277-R281 PolarHBondContact O-N 3.34Å; L278-R281 WeakPolarHBondContact O-CB 3.13Å; L278-R281 PolarHBondContact O-N 3.5Å; L278-R281 VanDerWaalsContact O-N 3.08Å; E279-R281 VanDerWaalsContact C-N 3.34Å; E279-R281 PolarHBondContact O-N 3.24Å; R281-T284 PolarHBondContact O-N 3.33Å; R281-L285 WeakPolarHBondContact O-CB 3.26Å; R281-L285 PolarHBondContact O-N 2.73Å; R281-M302 HydrophobicContact CB-CE 3.76Å; R281-M302 HydrophobicContact CB-CG 4.3Å; R281-M302 HydrophobicContact CB-SD 3.65Å; R281-M302 HydrophobicContact CG-CE 4.48Å; R281-H303 PolarHBondContact NH1-O 3.05Å; R281-E305 IonicContact CZ-OE1 3.26Å; R281-E305 IonicContact CZ-OE2 2.71Å; R281-E305 IonicContact NH1-OE1 3.99Å; R281-E305 PolarHBondContact NH1-OE1 2.97Å; R281-E305 IonicContact NH1-OE2 3.03Å; R281-E305 PolarHBondContact NH1-OE2 3.48Å; R281-E305 IonicContact NH2-OE1 2.68Å; R281-E305 PolarHBondContact NH2-OE1 2.86Å; R281-E305 IonicContact NH2-OE2 3.45Å; R281-E305 PolarHBondContact NH2-OE2 3.03Å
282	I	96.1	Very high	91.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-50.8	175.2	-65.5	-54.5	0	0	0	111.7	T128 L278 E279 R280 T284 L285 L286 M302 I331 Q334 L335	T128-I282 HydrophobicContact CG2-CG2 4.3Å; L278-I282 PolarHBondContact O-N 2.93Å; E279-I282 PolarHBondContact O-N 3.31Å; R280-I282 VanDerWaalsContact C-N 3.34Å; I282-T284 VanDerWaalsContact C-N 3.28Å; I282-T284 PolarHBondContact O-N 2.86Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 3Å; I282-L286 HydrophobicContact CG2-CD1 3.92Å; I282-L286 HydrophobicContact CG2-CG 4.42Å; I282-L286 WeakPolarHBondContact O-CG 3.06Å; I282-L286 PolarHBondContact O-N 2.84Å; I282-M302 HydrophobicContact CD1-CE 3.97Å; I282-M302 HydrophobicContact CD1-SD 3.55Å; I282-M302 VanDerWaalsContact CD1-SD 3.55Å; I282-M302 HydrophobicContact CG1-CE 4.22Å; I282-M302 HydrophobicContact CG1-SD 4.28Å; I282-I331 HydrophobicContact CD1-CG2 4.04Å; I282-I331 HydrophobicContact CG1-CG2 3.74Å; I282-Q334 HydrophobicContact CG2-CB 4.38Å; I282-L335 HydrophobicContact CD1-CB 3.99Å; I282-L335 HydrophobicContact CD1-CD1 4.33Å; I282-L335 HydrophobicContact CG2-CB 4.34Å
283	L	96.1	Very high	92.4	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-40.9	179.6	-70.4	175.5	0	0	0	112	Y97 C114 T128 E279 R280 L286 Q287	Y97-L283 HydrophobicContact CD1-CD1 3.71Å; Y97-L283 HydrophobicContact CE1-CD1 4.25Å; C114-L283 HydrophobicContact CB-CD1 3.85Å; C114-L283 HydrophobicContact CB-CD2 4.2Å; T128-L283 HydrophobicContact CG2-CD2 3.97Å; E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 2.85Å; R280-L283 PolarHBondContact O-N 2.98Å; L283-L286 PolarHBondContact O-N 2.87Å; L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.38Å; L283-Q287 PolarHBondContact O-N 3.17Å
284	T	95.7	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.4	-40.3	177.9	-50.8	0	0	0	0	111.4	Y60 F270 R280 R281 I282 L286 Q287 W288	Y60-T284 VanDerWaalsContact CB-CG2 3.45Å; Y60-T284 HydrophobicContact CD1-CG2 4.28Å; Y60-T284 HydrophobicContact CD2-CG2 3.78Å; Y60-T284 HydrophobicContact CG-CG2 3.57Å; F270-T284 HydrophobicContact CE2-CG2 3.8Å; F270-T284 HydrophobicContact CZ-CG2 3.72Å; R280-T284 WeakPolarHBondContact O-CB 3.35Å; R280-T284 PolarHBondContact O-N 2.93Å; R280-T284 PolarHBondContact O-OG1 3.01Å; R281-T284 PolarHBondContact O-N 3.33Å; I282-T284 VanDerWaalsContact C-N 3.28Å; I282-T284 PolarHBondContact O-N 2.86Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 3.21Å; T284-Q287 WeakPolarHBondContact O-CB 3.01Å; T284-Q287 PolarHBondContact O-N 3.09Å; T284-W288 HydrophobicContact CG2-CD2 4.04Å; T284-W288 HydrophobicContact CG2-CE3 4.44Å; T284-W288 HydrophobicContact CG2-CH2 4.14Å; T284-W288 HydrophobicContact CG2-CZ2 3.67Å; T284-W288 HydrophobicContact CG2-CZ3 4.49Å; T284-W288 PolarHBondContact O-N 3.37Å
285	L	95.9	Very high	93.9	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-45	174.8	-175.1	157.7	0	0	0	111.3	I163 R281 I282 W288 L289 Y300 L335	I163-L285 HydrophobicContact CD1-CD2 4.05Å; I163-L285 HydrophobicContact CG2-CD1 4.02Å; R281-L285 WeakPolarHBondContact O-CB 3.26Å; R281-L285 PolarHBondContact O-N 2.73Å; I282-L285 WeakPolarHBondContact O-CB 3.37Å; I282-L285 PolarHBondContact O-N 3Å; L285-W288 PolarHBondContact O-N 3.21Å; L285-L289 HydrophobicContact CD2-CD1 3.58Å; L285-L289 HydrophobicContact CD2-CG 4.28Å; L285-L289 PolarHBondContact O-N 2.91Å; L285-Y300 HydrophobicContact CD1-CD1 4.48Å; L285-Y300 HydrophobicContact CD2-CD1 4.43Å; L285-Y300 HydrophobicContact CG-CD1 3.87Å; L285-Y300 HydrophobicContact CG-CG 4.3Å; L285-L335 HydrophobicContact CD2-CD1 3.94Å
286	L	96.5	Very high	94.5	Very high	11 Å²	11	38 Å²	38	6%	0.058	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-39.9	176.5	-66.1	169.3	0	0	0	111.7	T128 I282 L283 T284 W288 L289 H290 L335 L339 M342	T128-L286 HydrophobicContact CG2-CD1 3.62Å; I282-L286 HydrophobicContact CG2-CD1 3.92Å; I282-L286 HydrophobicContact CG2-CG 4.42Å; I282-L286 WeakPolarHBondContact O-CG 3.06Å; I282-L286 PolarHBondContact O-N 2.84Å; L283-L286 PolarHBondContact O-N 2.87Å; T284-L286 VanDerWaalsContact C-N 3.34Å; T284-L286 PolarHBondContact O-N 3.21Å; L286-W288 PolarHBondContact O-N 3.32Å; L286-L289 HydrophobicContact CD2-CD1 4.44Å; L286-L289 WeakPolarHBondContact O-CB 3.25Å; L286-L289 PolarHBondContact O-N 2.03Å; L286-H290 PolarHBondContact O-N 2.88Å; L286-L335 HydrophobicContact CD2-CD1 4.31Å; L286-L339 HydrophobicContact CD2-CD2 4.15Å; L286-L339 HydrophobicContact CD2-CG 4.23Å; L286-M342 HydrophobicContact CB-SD 4.07Å; L286-M342 HydrophobicContact CD2-SD 3.86Å; L286-M342 WeakPolarHBondContact O-CE 3.46Å
287	Q	95	Very high	94.8	Very high	66 Å²	66	37.9 Å²	37.9	31%	0.308	20%	0.204	S	C	.	.	H	α-helix	trans	-60.7	-44.2	173.1	-75.3	171.3	-14.2	0	0	111.7	L283 T284 L289 H290 L291	L283-Q287 VanDerWaalsContact O-CG 3.28Å; L283-Q287 WeakPolarHBondContact O-CG 3.38Å; L283-Q287 PolarHBondContact O-N 3.17Å; T284-Q287 WeakPolarHBondContact O-CB 3.01Å; T284-Q287 PolarHBondContact O-N 3.09Å; Q287-L289 VanDerWaalsContact C-N 3.31Å; Q287-L289 PolarHBondContact O-N 2.96Å; Q287-H290 WeakPolarHBondContact O-CB 3.41Å; Q287-H290 PolarHBondContact O-N 2.7Å; Q287-L291 PolarHBondContact O-N 3.49Å
288	W	95.8	Very high	95	Very high	18 Å²	18	36.7 Å²	36.7	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-36	175	-67.8	-27.2	0	0	0	112.7	Y60 L62 A268 F270 T284 L285 L286 H290 L291 Y300	Y60-W288 PolarHBondContact O-NE1 3.34Å; L62-W288 HydrophobicContact CD2-CD2 4Å; L62-W288 HydrophobicContact CD2-CG 4.18Å; L62-W288 HydrophobicContact CD2-CZ2 4.07Å; A268-W288 HydrophobicContact CB-CD2 4Å; A268-W288 HydrophobicContact CB-CE3 3.45Å; A268-W288 VanDerWaalsContact CB-CE3 3.45Å; A268-W288 HydrophobicContact CB-CH2 4.05Å; A268-W288 HydrophobicContact CB-CZ3 3.48Å; A268-W288 VanDerWaalsContact CB-CZ3 3.48Å; F270-W288 AromaticContact CD2-CH2 3.66Å; F270-W288 HydrophobicContact CD2-CH2 3.66Å; F270-W288 AromaticContact CD2-CZ3 3.57Å; F270-W288 HydrophobicContact CD2-CZ3 3.57Å; F270-W288 HydrophobicContact CE2-CE3 4.3Å; F270-W288 AromaticContact CE2-CH2 3.18Å; F270-W288 HydrophobicContact CE2-CH2 3.18Å; F270-W288 HydrophobicContact CE2-CZ2 4.05Å; F270-W288 AromaticContact CE2-CZ3 3.33Å; F270-W288 HydrophobicContact CE2-CZ3 3.33Å; F270-W288 AromaticContact CZ-CH2 3.91Å; F270-W288 HydrophobicContact CZ-CH2 3.91Å; F270-W288 HydrophobicContact CZ-CZ2 4.46Å; F270-W288 HydrophobicContact CZ-CZ3 4.44Å; T284-W288 HydrophobicContact CG2-CD2 4.04Å; T284-W288 HydrophobicContact CG2-CE3 4.44Å; T284-W288 HydrophobicContact CG2-CH2 4.14Å; T284-W288 HydrophobicContact CG2-CZ2 3.67Å; T284-W288 HydrophobicContact CG2-CZ3 4.49Å; T284-W288 PolarHBondContact O-N 3.37Å; L285-W288 PolarHBondContact O-N 3.21Å; L286-W288 PolarHBondContact O-N 3.32Å; W288-H290 PolarHBondContact O-N 2.92Å; W288-L291 HydrophobicContact CB-CD1 4.42Å; W288-L291 WeakPolarHBondContact O-CB 3.2Å; W288-L291 PolarHBondContact O-N 3.13Å; W288-Y300 HydrophobicContact CB-CE1 3.77Å; W288-Y300 HydrophobicContact CE3-CD1 4.29Å; W288-Y300 HydrophobicContact CE3-CE1 4.48Å
289	L	95.9	Very high	95.1	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-22.6	172.6	-77.7	168.7	0	0	0	113.1	F157 P161 I163 L285 L286 Q287 R296 Y300 L339 M342 L344	F157-L289 HydrophobicContact CE1-CD2 4.48Å; P161-L289 HydrophobicContact CB-CD2 4.18Å; P161-L289 HydrophobicContact CG-CD2 4.12Å; I163-L289 HydrophobicContact CD1-CD1 4.26Å; L285-L289 HydrophobicContact CD2-CD1 3.58Å; L285-L289 HydrophobicContact CD2-CG 4.28Å; L285-L289 PolarHBondContact O-N 2.91Å; L286-L289 HydrophobicContact CD2-CD1 4.44Å; L286-L289 WeakPolarHBondContact O-CB 3.25Å; L286-L289 PolarHBondContact O-N 2.03Å; Q287-L289 VanDerWaalsContact C-N 3.31Å; Q287-L289 PolarHBondContact O-N 2.96Å; L289-R296 WeakPolarHBondContact O-CD 3.08Å; L289-Y300 HydrophobicContact CD2-CD2 4.37Å; L289-Y300 HydrophobicContact CD2-CE1 4.24Å; L289-Y300 HydrophobicContact CD2-CE2 3.58Å; L289-Y300 VanDerWaalsContact CD2-CZ 3.48Å; L289-Y300 WeakPolarHBondContact CD2-OH 3.46Å; L289-Y300 HydrophobicContact CG-CE1 4.05Å; L289-Y300 HydrophobicContact CG-CE2 4.26Å; L289-L339 HydrophobicContact CD1-CD2 3.62Å; L289-M342 HydrophobicContact CB-CE 4.01Å; L289-L344 HydrophobicContact CB-CD1 4.02Å; L289-L344 HydrophobicContact CD1-CD1 4.25Å; L289-L344 HydrophobicContact CD2-CD1 4.4Å; L289-L344 HydrophobicContact CG-CD1 4.48Å
290	H	94.4	Very high	95.2	Very high	81 Å²	81	32.5 Å²	32.5	38%	0.375	17%	0.173	S	C	.	.	H	α-helix	trans	-84.1	-10.8	176	-162.8	69.3	0	0	0	113.2	A122 G124 L286 Q287 W288 M342	A122-H290 PolarHBondContact O-NE2 2.79Å; G124-H290 PolarHBondContact N-NE2 2.94Å; L286-H290 PolarHBondContact O-N 2.88Å; Q287-H290 WeakPolarHBondContact O-CB 3.41Å; Q287-H290 PolarHBondContact O-N 2.7Å; W288-H290 PolarHBondContact O-N 2.92Å; H290-M342 HydrophobicContact CB-CE 3.7Å
291	L	94.1	Very high	95.2	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.236	17%	0.172	C	C	.	.	S	Bend	trans	-58.7	151.6	179.8	-72	172.8	0	0	0	111.9	L62 Q287 W288 E295 R296	L62-L291 HydrophobicContact CD1-CD1 3.69Å; Q287-L291 PolarHBondContact O-N 3.49Å; W288-L291 HydrophobicContact CB-CD1 4.42Å; W288-L291 WeakPolarHBondContact O-CB 3.2Å; W288-L291 PolarHBondContact O-N 3.13Å; L291-E295 HydrophobicContact CB-CB 4.33Å; L291-R296 HydrophobicContact CB-CB 4.13Å; L291-R296 PolarHBondContact O-NH1 3.06Å
292	P	93.7	Very high	95.1	Very high	77 Å²	77	32.4 Å²	32.4	50%	0.5	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-55.6	159	174.3	-25	34	0	0	0	113.7	E295 R296	P292-E295 PolarHBondContact O-N 3.25Å; P292-E295 VanDerWaalsContact O-N 3.14Å; P292-R296 WeakPolarHBondContact O-CB 3.5Å; P292-R296 PolarHBondContact O-N 2.98Å
293	E	92.5	Very high	95	Very high	135 Å²	135	32.3 Å²	32.3	63%	0.631	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	141.2	168.9	-173.2	172.9	-179.6	0	0	110.5	G156 E295	G156-E293 WeakPolarHBondContact CA-OE2 3.37Å; E293-E295 VanDerWaalsContact C-N 3.26Å; E293-E295 PolarHBondContact O-N 3.37Å
294	G	90.3	Very high	94.9	Very high	59 Å²	59	32.1 Å²	32.1	61%	0.608	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.8	-28.7	-173.6	0	0	0	0	0	114	K266	K266-G294 WeakPolarHBondContact CD-O 3.44Å; K266-G294 WeakPolarHBondContact CE-O 3.42Å; K266-G294 PolarHBondContact NZ-O 3.34Å
295	E	92.7	Very high	94.9	Very high	108 Å²	108	33.8 Å²	33.8	51%	0.505	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-34.3	174.5	-72.3	-176.1	-142.2	0	0	113.6	L62 K266 L291 P292 E293	L62-E295 WeakPolarHBondContact CD1-O 3.39Å; K266-E295 VanDerWaalsContact CD-O 3.26Å; K266-E295 WeakPolarHBondContact CD-O 2.9Å; L291-E295 HydrophobicContact CB-CB 4.33Å; P292-E295 PolarHBondContact O-N 3.25Å; P292-E295 VanDerWaalsContact O-N 3.14Å; E293-E295 VanDerWaalsContact C-N 3.26Å; E293-E295 PolarHBondContact O-N 3.37Å
296	R	95.9	Very high	94.8	Very high	22 Å²	22	35.6 Å²	35.6	8%	0.083	19%	0.189	C	C	.	.	S	Bend	trans	-63.8	129	-176	-175.4	165.8	60.7	-127	2.5	114	G156 F157 L289 L291 P292 Y300	G156-R296 PolarHBondContact O-NH2 3.19Å; F157-R296 VanDerWaalsContact CE2-CZ 3.49Å; F157-R296 VanDerWaalsContact CZ-CZ 3.45Å; L289-R296 WeakPolarHBondContact O-CD 3.08Å; L291-R296 HydrophobicContact CB-CB 4.13Å; L291-R296 PolarHBondContact O-NH1 3.06Å; P292-R296 WeakPolarHBondContact O-CB 3.5Å; P292-R296 PolarHBondContact O-N 2.98Å; R296-Y300 WeakPolarHBondContact CG-OH 3.5Å
297	P	96.9	Very high	94.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.			trans	-65	157.8	170.7	-18.7	29.1	0	0	0	114.1	L62 K266 A268 Y300	L62-P297 HydrophobicContact CD1-CG 3.71Å; L62-P297 HydrophobicContact CD2-CG 4.07Å; K266-P297 HydrophobicContact CB-CB 4.36Å; K266-P297 WeakPolarHBondContact O-CA 3.41Å; A268-P297 HydrophobicContact CB-CB 4.05Å; A268-P297 HydrophobicContact CB-CG 3.66Å; P297-Y300 HydrophobicContact CB-CE1 3.89Å; P297-Y300 HydrophobicContact CB-CE2 4.08Å; P297-Y300 WeakPolarHBondContact CD-OH 3.28Å; P297-Y300 HydrophobicContact CG-CE1 4Å; P297-Y300 WeakPolarHBondContact O-CE2 3.3Å; P297-Y300 VanDerWaalsContact O-CZ 3.23Å; P297-Y300 PolarHBondContact O-OH 3.42Å
298	Y	97.3	Very high	94.9	Very high	27 Å²	27	32.7 Å²	32.7	11%	0.106	18%	0.176	C	C	.	.	S	Bend	trans	-111.2	-14.7	168.5	-77.9	-84.7	0	0	0	113	A158 R159 L162 L265 K266 L509	A158-Y298 PolarHBondContact N-OH 3.29Å; A158-Y298 VanDerWaalsContact N-OH 3.13Å; R159-Y298 HydrophobicContact CB-CE1 4.47Å; R159-Y298 HydrophobicContact CG-CD1 3.47Å; R159-Y298 VanDerWaalsContact CG-CD1 3.47Å; R159-Y298 HydrophobicContact CG-CE1 3.41Å; R159-Y298 VanDerWaalsContact CG-CE1 3.41Å; R159-Y298 HydrophobicContact CG-CG 4.36Å; R159-Y298 VanDerWaalsContact O-CE1 3.31Å; R159-Y298 WeakPolarHBondContact O-CE1 3.27Å; L162-Y298 PolarHBondContact N-O 2.66Å; L265-Y298 HydrophobicContact CD2-CD2 4.05Å; L265-Y298 HydrophobicContact CD2-CG 4.42Å; K266-Y298 PolarHBondContact O-N 3.36Å; Y298-L509 WeakPolarHBondContact O-CD2 3.34Å
299	V	97.2	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121	175.7	-169.4	0	0	0	0	108.8	I164 I256 A260 K266 A267 A268 L509	I164-V299 HydrophobicContact CD1-CG1 4.31Å; I256-V299 HydrophobicContact CG1-CG1 4.49Å; A260-V299 HydrophobicContact CB-CG2 3.75Å; K266-V299 PolarHBondContact O-N 3.09Å; A267-V299 CarbonylContact C-O 3.07Å; A267-V299 WeakPolarHBondContact CA-O 3.39Å; A267-V299 HydrophobicContact CB-CB 3.99Å; A268-V299 PolarHBondContact N-O 3.07Å; V299-L509 HydrophobicContact CG2-CD1 3.39Å; V299-L509 HydrophobicContact CG2-CD2 4.05Å; V299-L509 HydrophobicContact CG2-CG 4.37Å
300	Y	97.4	Very high	94.8	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.8	176.5	-58.6	-96.6	0	0	0	108	P161 L162 I163 I164 A268 L285 W288 L289 R296 P297	P161-Y300 HydrophobicContact CB-CD2 4.37Å; P161-Y300 HydrophobicContact CB-CE2 3.96Å; L162-Y300 PolarHBondContact O-N 3Å; I163-Y300 CarbonylContact C-O 3.59Å; I163-Y300 WeakPolarHBondContact CA-O 3.42Å; I163-Y300 HydrophobicContact CG1-CD2 4.32Å; I163-Y300 HydrophobicContact CG1-CG 4.46Å; I164-Y300 PolarHBondContact N-O 3.29Å; A268-Y300 HydrophobicContact CB-CD1 4.41Å; A268-Y300 VanDerWaalsContact O-CA 3.31Å; A268-Y300 WeakPolarHBondContact O-CA 3.38Å; L285-Y300 HydrophobicContact CD1-CD1 4.48Å; L285-Y300 HydrophobicContact CD2-CD1 4.43Å; L285-Y300 HydrophobicContact CG-CD1 3.87Å; L285-Y300 HydrophobicContact CG-CG 4.3Å; W288-Y300 HydrophobicContact CB-CE1 3.77Å; W288-Y300 HydrophobicContact CE3-CD1 4.29Å; W288-Y300 HydrophobicContact CE3-CE1 4.48Å; L289-Y300 HydrophobicContact CD2-CD2 4.37Å; L289-Y300 HydrophobicContact CD2-CE1 4.24Å; L289-Y300 HydrophobicContact CD2-CE2 3.58Å; L289-Y300 VanDerWaalsContact CD2-CZ 3.48Å; L289-Y300 WeakPolarHBondContact CD2-OH 3.46Å; L289-Y300 HydrophobicContact CG-CE1 4.05Å; L289-Y300 HydrophobicContact CG-CE2 4.26Å; R296-Y300 WeakPolarHBondContact CG-OH 3.5Å; P297-Y300 HydrophobicContact CB-CE1 3.89Å; P297-Y300 HydrophobicContact CB-CE2 4.08Å; P297-Y300 WeakPolarHBondContact CD-OH 3.28Å; P297-Y300 HydrophobicContact CG-CE1 4Å; P297-Y300 WeakPolarHBondContact O-CE2 3.3Å; P297-Y300 VanDerWaalsContact O-CZ 3.23Å; P297-Y300 PolarHBondContact O-OH 3.42Å
301	A	94.7	Very high	94.9	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134	173.5	0	0	0	0	0	110.4	I164 A268 T269 F270 F271	I164-A301 HydrophobicContact CB-CB 4.34Å; I164-A301 HydrophobicContact CD1-CB 4.44Å; I164-A301 CarbonylContact O-C 3.58Å; I164-A301 WeakPolarHBondContact O-CA 3.39Å; A268-A301 PolarHBondContact O-N 3.37Å; T269-A301 CarbonylContact C-O 3.51Å; T269-A301 WeakPolarHBondContact CA-O 3.1Å; T269-A301 HydrophobicContact CG2-CB 4.06Å; F270-A301 PolarHBondContact N-O 2.82Å; F271-A301 HydrophobicContact CD2-CB 4.12Å; F271-A301 HydrophobicContact CE2-CB 3.65Å
302	M	93.4	Very high	95.1	Very high	9 Å²	9	35.3 Å²	35.3	4%	0.044	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140	175.3	172.6	177.1	163.9	0	0	109	I164 L165 S166 F270 L278 R281 I282 I331	I164-M302 PolarHBondContact O-N 3.32Å; L165-M302 HydrophobicContact CD2-CB 4.03Å; L165-M302 HydrophobicContact CD2-SD 4.43Å; S166-M302 PolarHBondContact N-O 3.4Å; F270-M302 HydrophobicContact CB-CB 4.45Å; L278-M302 HydrophobicContact CB-CE 4.07Å; L278-M302 HydrophobicContact CD2-CE 3.66Å; L278-M302 HydrophobicContact CG-CE 4.43Å; R281-M302 HydrophobicContact CB-CE 3.76Å; R281-M302 HydrophobicContact CB-CG 4.3Å; R281-M302 HydrophobicContact CB-SD 3.65Å; R281-M302 HydrophobicContact CG-CE 4.48Å; I282-M302 HydrophobicContact CD1-CE 3.97Å; I282-M302 HydrophobicContact CD1-SD 3.55Å; I282-M302 VanDerWaalsContact CD1-SD 3.55Å; I282-M302 HydrophobicContact CG1-CE 4.22Å; I282-M302 HydrophobicContact CG1-SD 4.28Å; M302-I331 HydrophobicContact CE-CG2 4.06Å
303	H	93.7	Very high	95.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.8	174.4	176.2	78.4	0	0	0	110.3	S166 D168 L210 F270 W272 R281	S166-H303 CarbonylContact O-C 3.39Å; S166-H303 WeakPolarHBondContact O-CA 3.48Å; S166-H303 PolarHBondContact OG-ND1 2.75Å; D168-H303 VanDerWaalsContact CB-CE1 3.49Å; D168-H303 WeakPolarHBondContact CB-CE1 3.19Å; D168-H303 IonicContact OD2-CE1 2.68Å; D168-H303 PolarHBondContact OD2-CE1 2.74Å; D168-H303 IonicContact OD2-NE2 3.92Å; D168-H303 PolarHBondContact OD2-NE2 2.82Å; L210-H303 WeakPolarHBondContact CD1-ND1 3.44Å; F270-H303 PolarHBondContact O-N 3.17Å; W272-H303 AromaticContact CE3-CD2 3.77Å; W272-H303 AromaticContact CE3-NE2 3.99Å; W272-H303 AromaticContact CH2-CD2 3.59Å; W272-H303 AromaticContact CH2-CE1 3.46Å; W272-H303 VanDerWaalsContact CH2-CE1 3.46Å; W272-H303 WeakPolarHBondContact CH2-CE1 3.34Å; W272-H303 AromaticContact CH2-NE2 3.12Å; W272-H303 WeakPolarHBondContact CH2-NE2 3.42Å; W272-H303 AromaticContact CZ3-CD2 3.24Å; W272-H303 WeakPolarHBondContact CZ3-CD2 3.41Å; W272-H303 AromaticContact CZ3-CE1 3.83Å; W272-H303 AromaticContact CZ3-NE2 3Å; W272-H303 WeakPolarHBondContact CZ3-NE2 3.39Å; R281-H303 PolarHBondContact NH1-O 3.05Å
304	S	94.8	Very high	95.3	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.049	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.6	170.8	161.4	0	0	0	0	108.5	S166 D168 Q306	S166-S304 PolarHBondContact O-N 2.85Å; D168-S304 WeakPolarHBondContact CB-O 3.47Å; D168-S304 PolarHBondContact N-O 3.06Å; S304-Q306 PolarHBondContact O-N 3.15Å; S304-Q306 VanDerWaalsContact O-N 3.07Å; S304-Q306 PolarHBondContact OG-N 2.96Å; S304-Q306 PolarHBondContact OG-O 3.18Å
305	E	94.2	Very high	95.5	Very high	34 Å²	34	30.5 Å²	30.5	16%	0.159	15%	0.145	C	C	.	.			trans	-73	4.2	178.1	-55.2	78.7	-172.1	0	0	113.1	W272 R281 T309	W272-E305 HydrophobicContact CZ3-CG 4.43Å; R281-E305 IonicContact CZ-OE1 3.26Å; R281-E305 IonicContact CZ-OE2 2.71Å; R281-E305 IonicContact NH1-OE1 3.99Å; R281-E305 PolarHBondContact NH1-OE1 2.97Å; R281-E305 IonicContact NH1-OE2 3.03Å; R281-E305 PolarHBondContact NH1-OE2 3.48Å; R281-E305 IonicContact NH2-OE1 2.68Å; R281-E305 PolarHBondContact NH2-OE1 2.86Å; R281-E305 IonicContact NH2-OE2 3.45Å; R281-E305 PolarHBondContact NH2-OE2 3.03Å; E305-T309 PolarHBondContact O-N 2.87Å; E305-T309 PolarHBondContact O-OG1 3.12Å; E305-T309 VanDerWaalsContact O-OG1 3.11Å
306	Q	94.1	Very high	95.7	Very high	41 Å²	41	25.4 Å²	25.4	19%	0.192	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	148.6	178.4	-59.8	-64.7	-1.6	0	0	110.2	D168 S304 Y310 I328	D168-Q306 CarbonylContact O-C 3.38Å; S304-Q306 PolarHBondContact O-N 3.15Å; S304-Q306 VanDerWaalsContact O-N 3.07Å; S304-Q306 PolarHBondContact OG-N 2.96Å; S304-Q306 PolarHBondContact OG-O 3.18Å; Q306-Y310 VanDerWaalsContact CD-CD2 3.43Å; Q306-Y310 VanDerWaalsContact NE2-CD2 3.33Å; Q306-Y310 VanDerWaalsContact NE2-CE2 3.29Å; Q306-I328 HydrophobicContact CB-CD1 3.69Å; Q306-I328 HydrophobicContact CB-CG1 3.97Å; Q306-I328 WeakPolarHBondContact O-CD1 3.3Å
307	P	96.5	Very high	95.6	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	cis	-83.6	0.3	8.4	35.1	-39.7	0	0	0	116.4	D168 F170 Y174 T309 Y310 G311 L321 L325 I328	D168-P307 WeakPolarHBondContact O-CD 3.42Å; D168-P307 VanDerWaalsContact O-N 3.08Å; F170-P307 HydrophobicContact CB-CG 4.22Å; F170-P307 HydrophobicContact CD2-CG 4.14Å; F170-P307 HydrophobicContact CG-CG 4.36Å; Y174-P307 HydrophobicContact CD2-CG 4.21Å; Y174-P307 HydrophobicContact CE2-CG 3.99Å; P307-T309 PolarHBondContact O-N 3.33Å; P307-Y310 PolarHBondContact O-N 2.96Å; P307-Y310 VanDerWaalsContact O-N 3.12Å; P307-G311 PolarHBondContact O-N 3.27Å; P307-L321 HydrophobicContact CB-CD1 4.13Å; P307-L325 HydrophobicContact CB-CD2 4.1Å; P307-L325 HydrophobicContact CG-CD2 4.09Å; P307-I328 HydrophobicContact CB-CD1 4.01Å; P307-I328 VanDerWaalsContact CD-CD1 3.44Å; P307-I328 HydrophobicContact CG-CD1 4.26Å
308	D	97.4	Very high	95.5	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.08	16%	0.156	C	C	.	.	H	α-helix	trans	-46.7	-53.9	-174.7	-177.7	68.1	0	0	0	114.4	D168 Y310 G311 H312 H356 M358 H467	D168-D308 HydrophobicContact CB-CB 3.67Å; D168-D308 WeakPolarHBondContact O-CB 3.36Å; D168-D308 PolarHBondContact O-N 2.88Å; D168-D308 VanDerWaalsContact OD1-CB 3.26Å; D168-D308 WeakPolarHBondContact OD1-CB 3.22Å; D308-Y310 VanDerWaalsContact C-N 3.26Å; D308-Y310 PolarHBondContact O-N 3.38Å; D308-G311 CarbonylContact O-C 3.24Å; D308-G311 WeakPolarHBondContact O-CA 3.34Å; D308-G311 PolarHBondContact O-N 3.41Å; D308-H312 PolarHBondContact O-N 3.07Å; D308-H312 IonicContact OD1-CD2 3.74Å; D308-H312 IonicContact OD1-NE2 3.57Å; D308-H312 IonicContact OD2-CD2 3.47Å; D308-H312 PolarHBondContact OD2-CD2 2.91Å; D308-H312 IonicContact OD2-NE2 3.62Å; D308-H356 IonicContact OD1-CE1 3.62Å; D308-H356 PolarHBondContact OD1-CE1 2.02Å; D308-M358 WeakPolarHBondContact OD1-CE 3.33Å; D308-H467 IonicContact OD1-CD2 3.35Å; D308-H467 IonicContact OD1-NE2 2.74Å; D308-H467 PolarHBondContact OD1-NE2 2.98Å
309	T	95.1	Very high	95.4	Very high	52 Å²	52	33.6 Å²	33.6	32%	0.319	18%	0.178	S	C	.	.	H	α-helix	trans	-57	-40.1	-177.1	-62.4	0	0	0	0	112.3	E305 P307 K313	E305-T309 PolarHBondContact O-N 2.87Å; E305-T309 PolarHBondContact O-OG1 3.12Å; E305-T309 VanDerWaalsContact O-OG1 3.11Å; P307-T309 PolarHBondContact O-N 3.33Å; T309-K313 WeakPolarHBondContact O-CG 3.28Å
310	Y	95.1	Very high	95.2	Very high	103 Å²	103	38.7 Å²	38.7	40%	0.404	21%	0.206	S	C	.	.	H	α-helix	trans	-76.6	-38.7	174.4	-78.8	-77.1	0	0	0	111.9	Q306 P307 D308 H312 K313 V314 P324	Q306-Y310 VanDerWaalsContact CD-CD2 3.43Å; Q306-Y310 VanDerWaalsContact NE2-CD2 3.33Å; Q306-Y310 VanDerWaalsContact NE2-CE2 3.29Å; P307-Y310 PolarHBondContact O-N 2.96Å; P307-Y310 VanDerWaalsContact O-N 3.12Å; D308-Y310 VanDerWaalsContact C-N 3.26Å; D308-Y310 PolarHBondContact O-N 3.38Å; Y310-H312 PolarHBondContact O-N 2.9Å; Y310-K313 PolarHBondContact O-N 3.25Å; Y310-V314 WeakPolarHBondContact O-CG2 3.41Å; Y310-V314 PolarHBondContact O-N 3.44Å; Y310-P324 HydrophobicContact CD1-CG 3.95Å; Y310-P324 HydrophobicContact CD2-CB 3.66Å; Y310-P324 HydrophobicContact CD2-CG 3.32Å; Y310-P324 HydrophobicContact CE1-CG 4.4Å; Y310-P324 HydrophobicContact CE2-CB 4.32Å; Y310-P324 HydrophobicContact CE2-CG 3.9Å; Y310-P324 HydrophobicContact CG-CB 4.1Å; Y310-P324 HydrophobicContact CG-CG 3.4Å
311	G	96.8	Very high	95.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-53.6	-42.2	174.6	0	0	0	0	0	112.4	P307 D308 G315	P307-G311 PolarHBondContact O-N 3.27Å; D308-G311 CarbonylContact O-C 3.24Å; D308-G311 WeakPolarHBondContact O-CA 3.34Å; D308-G311 PolarHBondContact O-N 3.41Å; G311-G315 WeakPolarHBondContact O-CA 3.31Å; G311-G315 PolarHBondContact O-N 3.5Å
312	H	97.1	Very high	95.2	Very high	45 Å²	45	40.2 Å²	40.2	21%	0.208	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-41.6	171.5	-84.5	-60	0	0	0	113.4	D308 Y310 F463 S464 G465 D466 H467	D308-H312 PolarHBondContact O-N 3.07Å; D308-H312 IonicContact OD1-CD2 3.74Å; D308-H312 IonicContact OD1-NE2 3.57Å; D308-H312 IonicContact OD2-CD2 3.47Å; D308-H312 PolarHBondContact OD2-CD2 2.91Å; D308-H312 IonicContact OD2-NE2 3.62Å; Y310-H312 PolarHBondContact O-N 2.9Å; H312-F463 CarbonylContact O-C 3.59Å; H312-F463 WeakPolarHBondContact O-CA 3.34Å; H312-F463 WeakPolarHBondContact O-CB 3.47Å; H312-S464 PolarHBondContact O-N 3.4Å; H312-G465 PolarHBondContact ND1-O 2.83Å; H312-G465 PolarHBondContact O-N 3.22Å; H312-G465 VanDerWaalsContact O-N 3.12Å; H312-D466 IonicContact CE1-OD1 3.79Å; H312-D466 PolarHBondContact CE1-OD1 3.28Å; H312-H467 AromaticContact CE1-CD2 3.43Å; H312-H467 PolarHBondContact CE1-CD2 2.79Å; H312-H467 VanDerWaalsContact CE1-CD2 3.43Å; H312-H467 AromaticContact CE1-NE2 3.55Å; H312-H467 AromaticContact NE2-CD2 3.42Å; H312-H467 PolarHBondContact NE2-CD2 2.84Å; H312-H467 AromaticContact NE2-NE2 3.16Å; H312-H467 PolarHBondContact NE2-NE2 2.79Å; H312-H467 VanDerWaalsContact NE2-NE2 3.16Å
313	K	95.4	Very high	95.3	Very high	122 Å²	122	44.7 Å²	44.7	53%	0.53	24%	0.237	S	C	.	.	H	α-helix	trans	-73.4	-47.9	-176.6	-70.4	174.3	-175.4	179.6	0	112.7	T309 Y310 S464	T309-K313 WeakPolarHBondContact O-CG 3.28Å; Y310-K313 PolarHBondContact O-N 3.25Å; K313-S464 WeakPolarHBondContact O-CB 3.32Å; K313-S464 PolarHBondContact O-OG 2.9Å; K313-S464 VanDerWaalsContact O-OG 3.09Å
314	V	95	Very high	95.4	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-108.4	-11	-168.8	-55.3	0	0	0	0	114.1	Y310 S318 D320 L321	Y310-V314 WeakPolarHBondContact O-CG2 3.41Å; Y310-V314 PolarHBondContact O-N 3.44Å; V314-S318 WeakPolarHBondContact O-CB 3.31Å; V314-D320 HydrophobicContact CB-CB 4.48Å; V314-D320 HydrophobicContact CG1-CB 4.3Å; V314-D320 HydrophobicContact CG2-CB 4.35Å; V314-L321 HydrophobicContact CG2-CB 4.45Å; V314-L321 HydrophobicContact CG2-CD1 4.47Å
315	G	95.8	Very high	95.5	Very high	5 Å²	5	44.9 Å²	44.9	5%	0.052	24%	0.239	C	C	.	.			trans	83.7	155.8	-176.3	0	0	0	0	0	112.9	G311 M317 S318 S464	G311-G315 WeakPolarHBondContact O-CA 3.31Å; G311-G315 PolarHBondContact O-N 3.5Å; G315-M317 VanDerWaalsContact C-N 3.3Å; G315-M317 PolarHBondContact O-N 3.15Å; G315-S318 PolarHBondContact O-N 2.69Å; G315-S464 WeakPolarHBondContact CA-O 3.42Å
316	P	95.9	Very high	95.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.9	-170.5	26.9	-36.4	0	0	0	114.6	Y174 R177 M358 E360	Y174-P316 HydrophobicContact CE1-CB 4.1Å; Y174-P316 VanDerWaalsContact CE1-O 3.3Å; Y174-P316 WeakPolarHBondContact CE1-O 3.38Å; Y174-P316 VanDerWaalsContact OH-CA 3.24Å; Y174-P316 WeakPolarHBondContact OH-CA 3.15Å; Y174-P316 WeakPolarHBondContact OH-CB 3.04Å; R177-P316 PolarHBondContact NH2-O 3.2Å; P316-M358 HydrophobicContact CB-CB 4.14Å; P316-M358 HydrophobicContact CB-CG 3.95Å; P316-M358 HydrophobicContact CG-CG 4.3Å; P316-E360 HydrophobicContact CG-CG 3.81Å
317	M	94.1	Very high	95.8	Very high	120 Å²	120	48.7 Å²	48.7	59%	0.591	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-5.3	-176.3	-57.5	-51.7	-139	0	0	113.5	G315 E360	G315-M317 VanDerWaalsContact C-N 3.3Å; G315-M317 PolarHBondContact O-N 3.15Å; M317-E360 HydrophobicContact CG-CG 4.34Å
318	S	94.9	Very high	95.8	Very high	30 Å²	30	48.9 Å²	48.9	21%	0.21	26%	0.262	C	S	.	.			trans	-67.2	141.8	-178.3	177.4	0	0	0	0	112.3	R177 V314 G315 D320 L321	R177-S318 PolarHBondContact NH2-O 2.79Å; V314-S318 WeakPolarHBondContact O-CB 3.31Å; G315-S318 PolarHBondContact O-N 2.69Å; S318-D320 PolarHBondContact O-N 2.93Å; S318-D320 WeakPolarHBondContact OG-CB 3.39Å; S318-D320 PolarHBondContact OG-N 3.44Å; S318-D320 PolarHBondContact OG-OD2 3.46Å; S318-L321 WeakPolarHBondContact O-CB 3.47Å; S318-L321 PolarHBondContact O-N 2.88Å
319	A	94.4	Very high	95.9	Very high	70 Å²	70	48.5 Å²	48.5	58%	0.579	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.7	-24.9	170.5	0	0	0	0	0	112.1	L321 N322	A319-L321 PolarHBondContact O-N 3.5Å; A319-L321 VanDerWaalsContact O-N 3.17Å; A319-N322 WeakPolarHBondContact O-CB 3.47Å; A319-N322 PolarHBondContact O-N 2.66Å; A319-N322 PolarHBondContact O-ND2 2.91Å
320	D	94.1	Very high	96	Very high	108 Å²	108	53.2 Å²	53.2	58%	0.578	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22	177.2	-63.4	-31.6	0	0	0	112.1	V314 S318 N322 N323 P324	V314-D320 HydrophobicContact CB-CB 4.48Å; V314-D320 HydrophobicContact CG1-CB 4.3Å; V314-D320 HydrophobicContact CG2-CB 4.35Å; S318-D320 PolarHBondContact O-N 2.93Å; S318-D320 WeakPolarHBondContact OG-CB 3.39Å; S318-D320 PolarHBondContact OG-N 3.44Å; S318-D320 PolarHBondContact OG-OD2 3.46Å; D320-N322 PolarHBondContact O-N 2.77Å; D320-N323 PolarHBondContact O-N 2.84Å; D320-P324 WeakPolarHBondContact O-CD 3.39Å
321	L	95	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69	-15.5	174.9	-162.2	64.4	0	0	0	113	Y174 P307 V314 S318 A319 N323 P324 L325	Y174-L321 HydrophobicContact CD1-CD2 4.48Å; Y174-L321 HydrophobicContact CD2-CD2 4.5Å; Y174-L321 HydrophobicContact CE1-CD2 3.75Å; Y174-L321 HydrophobicContact CE2-CD2 3.79Å; Y174-L321 WeakPolarHBondContact OH-CD2 3.42Å; P307-L321 HydrophobicContact CB-CD1 4.13Å; V314-L321 HydrophobicContact CG2-CB 4.45Å; V314-L321 HydrophobicContact CG2-CD1 4.47Å; S318-L321 WeakPolarHBondContact O-CB 3.47Å; S318-L321 PolarHBondContact O-N 2.88Å; A319-L321 PolarHBondContact O-N 3.5Å; A319-L321 VanDerWaalsContact O-N 3.17Å; L321-N323 VanDerWaalsContact C-N 3.3Å; L321-N323 PolarHBondContact O-N 3.48Å; L321-P324 HydrophobicContact CD1-CG 4.49Å; L321-P324 WeakPolarHBondContact O-CD 3.34Å; L321-L325 HydrophobicContact CG-CD1 4.36Å; L321-L325 HydrophobicContact CG-CG 4.48Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.14Å; L321-L325 PolarHBondContact O-N 3.32Å; L321-L325 VanDerWaalsContact O-N 3.15Å
322	N	96.1	Very high	96.2	Very high	37 Å²	37	49.2 Å²	49.2	20%	0.198	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-35.9	177.4	-68.7	-14.9	0	0	0	112.3	R177 I181 A319 D320 L325 R326	R177-N322 VanDerWaalsContact CD-OD1 3.28Å; R177-N322 WeakPolarHBondContact CD-OD1 3.45Å; R177-N322 PolarHBondContact NE-OD1 2.88Å; I181-N322 HydrophobicContact CD1-CB 4.18Å; I181-N322 HydrophobicContact CG2-CB 4.27Å; A319-N322 WeakPolarHBondContact O-CB 3.47Å; A319-N322 PolarHBondContact O-N 2.66Å; A319-N322 PolarHBondContact O-ND2 2.91Å; D320-N322 PolarHBondContact O-N 2.77Å; N322-L325 PolarHBondContact O-N 3.33Å; N322-R326 WeakPolarHBondContact O-CG 3.46Å; N322-R326 PolarHBondContact O-N 3.01Å
323	N	95.7	Very high	96.3	Very high	102 Å²	102	47.3 Å²	47.3	55%	0.545	25%	0.249	S	C	.	.	H	α-helix	trans	-69.8	-48.8	-179.5	-73.7	-21.2	0	0	0	112.6	D320 L321 L325 R326 A327	D320-N323 PolarHBondContact O-N 2.84Å; L321-N323 VanDerWaalsContact C-N 3.3Å; L321-N323 PolarHBondContact O-N 3.48Å; N323-L325 VanDerWaalsContact C-N 3.26Å; N323-L325 PolarHBondContact O-N 3.05Å; N323-R326 PolarHBondContact O-N 3.16Å; N323-R326 PolarHBondContact OD1-NH1 2.86Å; N323-A327 PolarHBondContact O-N 3.2Å
324	P	95.2	Very high	96.4	Very high	12 Å²	12	42 Å²	42	8%	0.078	23%	0.227	C	C	.	.	H	α-helix	trans	-53.7	-41	169.6	-28.9	35.1	0	0	0	113.2	Y310 D320 L321 A327 I328	Y310-P324 HydrophobicContact CD1-CG 3.95Å; Y310-P324 HydrophobicContact CD2-CB 3.66Å; Y310-P324 HydrophobicContact CD2-CG 3.32Å; Y310-P324 HydrophobicContact CE1-CG 4.4Å; Y310-P324 HydrophobicContact CE2-CB 4.32Å; Y310-P324 HydrophobicContact CE2-CG 3.9Å; Y310-P324 HydrophobicContact CG-CB 4.1Å; Y310-P324 HydrophobicContact CG-CG 3.4Å; D320-P324 WeakPolarHBondContact O-CD 3.39Å; L321-P324 HydrophobicContact CD1-CG 4.49Å; L321-P324 WeakPolarHBondContact O-CD 3.34Å; P324-A327 WeakPolarHBondContact O-CB 3.29Å; P324-A327 PolarHBondContact O-N 3.24Å; P324-I328 WeakPolarHBondContact O-CG1 3.2Å; P324-I328 PolarHBondContact O-N 2.66Å
325	L	97.5	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-41.1	177.7	-71.5	173.9	0	0	0	112.9	F170 Y174 I181 I182 P307 L321 N322 N323 A327 I328 D329	F170-L325 HydrophobicContact CD2-CD2 4.13Å; F170-L325 HydrophobicContact CE2-CD2 3.59Å; F170-L325 HydrophobicContact CZ-CD2 4Å; Y174-L325 HydrophobicContact CD2-CD2 4.31Å; Y174-L325 HydrophobicContact CG-CD1 4.42Å; I181-L325 HydrophobicContact CG2-CB 3.93Å; I182-L325 HydrophobicContact CG2-CB 3.99Å; P307-L325 HydrophobicContact CB-CD2 4.1Å; P307-L325 HydrophobicContact CG-CD2 4.09Å; L321-L325 HydrophobicContact CG-CD1 4.36Å; L321-L325 HydrophobicContact CG-CG 4.48Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.14Å; L321-L325 PolarHBondContact O-N 3.32Å; L321-L325 VanDerWaalsContact O-N 3.15Å; N322-L325 PolarHBondContact O-N 3.33Å; N323-L325 VanDerWaalsContact C-N 3.26Å; N323-L325 PolarHBondContact O-N 3.05Å; L325-A327 VanDerWaalsContact C-N 3.26Å; L325-A327 PolarHBondContact O-N 3.05Å; L325-I328 HydrophobicContact CD2-CD1 4.45Å; L325-I328 PolarHBondContact O-N 3.39Å; L325-D329 WeakPolarHBondContact O-CB 3.47Å; L325-D329 PolarHBondContact O-N 2.88Å
326	R	98.1	Very high	96.7	Very high	102 Å²	102	39.7 Å²	39.7	39%	0.385	21%	0.212	S	C	.	.	H	α-helix	trans	-60.7	-37.2	171.5	-74	177.5	-170.2	123	-3.5	112	I181 N322 N323 D329 R330	I181-R326 HydrophobicContact CG2-CG 4.06Å; I181-R326 WeakPolarHBondContact O-CG 3.29Å; N322-R326 WeakPolarHBondContact O-CG 3.46Å; N322-R326 PolarHBondContact O-N 3.01Å; N323-R326 PolarHBondContact O-N 3.16Å; N323-R326 PolarHBondContact OD1-NH1 2.86Å; R326-D329 PolarHBondContact O-N 3.03Å; R326-R330 WeakPolarHBondContact O-CB 3.22Å; R326-R330 PolarHBondContact O-N 3.07Å
327	A	96.6	Very high	96.8	Very high	52 Å²	52	40.7 Å²	40.7	43%	0.43	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-45.8	177.7	0	0	0	0	0	111.2	N323 P324 L325 D329 R330 I331	N323-A327 PolarHBondContact O-N 3.2Å; P324-A327 WeakPolarHBondContact O-CB 3.29Å; P324-A327 PolarHBondContact O-N 3.24Å; L325-A327 VanDerWaalsContact C-N 3.26Å; L325-A327 PolarHBondContact O-N 3.05Å; A327-D329 PolarHBondContact O-N 3.26Å; A327-R330 WeakPolarHBondContact O-CB 3.4Å; A327-R330 PolarHBondContact O-N 3.3Å; A327-I331 WeakPolarHBondContact O-CG1 3.37Å; A327-I331 PolarHBondContact O-N 2.9Å
328	I	97.4	Very high	97	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-43.5	175.3	-62.2	163.2	0	0	0	110.9	V167 I185 Q306 P307 P324 L325 R330 I331 V332	V167-I328 HydrophobicContact CG1-CG2 3.74Å; I185-I328 HydrophobicContact CD1-CG2 4.3Å; Q306-I328 HydrophobicContact CB-CD1 3.69Å; Q306-I328 HydrophobicContact CB-CG1 3.97Å; Q306-I328 WeakPolarHBondContact O-CD1 3.3Å; P307-I328 HydrophobicContact CB-CD1 4.01Å; P307-I328 VanDerWaalsContact CD-CD1 3.44Å; P307-I328 HydrophobicContact CG-CD1 4.26Å; P324-I328 WeakPolarHBondContact O-CG1 3.2Å; P324-I328 PolarHBondContact O-N 2.66Å; L325-I328 HydrophobicContact CD2-CD1 4.45Å; L325-I328 PolarHBondContact O-N 3.39Å; I328-R330 VanDerWaalsContact C-N 3.27Å; I328-R330 PolarHBondContact O-N 3.45Å; I328-I331 WeakPolarHBondContact O-CB 3.47Å; I328-I331 PolarHBondContact O-N 2.84Å; I328-I331 VanDerWaalsContact O-N 3.09Å; I328-V332 PolarHBondContact O-N 2.88Å
329	D	98.6	Very high	97.2	Very high	6 Å²	6	33.7 Å²	33.7	3%	0.032	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-37.9	176.8	-172	82.5	0	0	0	112.2	I182 P183 N184 I185 L325 R326 A327 V332 G333	I182-D329 VanDerWaalsContact C-CG 3.47Å; I182-D329 VanDerWaalsContact CA-CG 3.49Å; I182-D329 VanDerWaalsContact CA-OD1 3.25Å; I182-D329 WeakPolarHBondContact CA-OD1 3.15Å; I182-D329 HydrophobicContact CB-CB 4.3Å; I182-D329 HydrophobicContact CG2-CB 4.21Å; P183-D329 WeakPolarHBondContact CD-OD2 3.44Å; P183-D329 WeakPolarHBondContact CG-OD2 3.03Å; N184-D329 WeakPolarHBondContact CA-OD1 3.38Å; N184-D329 WeakPolarHBondContact CB-OD1 3.48Å; N184-D329 PolarHBondContact N-OD1 3.15Å; N184-D329 PolarHBondContact N-OD2 3.19Å; N184-D329 VanDerWaalsContact N-OD2 3.16Å; N184-D329 PolarHBondContact ND2-O 3.48Å; N184-D329 PolarHBondContact ND2-OD2 3.45Å; I185-D329 HydrophobicContact CD1-CB 4.26Å; I185-D329 WeakPolarHBondContact CG1-OD1 3.34Å; I185-D329 PolarHBondContact N-OD1 3.44Å; L325-D329 WeakPolarHBondContact O-CB 3.47Å; L325-D329 PolarHBondContact O-N 2.88Å; R326-D329 PolarHBondContact O-N 3.03Å; A327-D329 PolarHBondContact O-N 3.26Å; D329-V332 PolarHBondContact O-N 3.39Å; D329-G333 PolarHBondContact O-N 3.46Å
330	R	97.9	Very high	97.3	Very high	151 Å²	151	32.2 Å²	32.2	57%	0.57	16%	0.161	S	C	*	.	H	α-helix	trans	-62.1	-42.1	172.8	-171.5	-176.7	-56.8	-178.7	1.5	111.8	R326 A327 I328 V332 G333 Q334	R326-R330 WeakPolarHBondContact O-CB 3.22Å; R326-R330 PolarHBondContact O-N 3.07Å; A327-R330 WeakPolarHBondContact O-CB 3.4Å; A327-R330 PolarHBondContact O-N 3.3Å; I328-R330 VanDerWaalsContact C-N 3.27Å; I328-R330 PolarHBondContact O-N 3.45Å; R330-V332 VanDerWaalsContact C-N 3.32Å; R330-V332 PolarHBondContact O-N 2.8Å; R330-G333 CarbonylContact O-C 3.54Å; R330-G333 PolarHBondContact O-N 3.38Å; R330-Q334 WeakPolarHBondContact O-CG 3.38Å; R330-Q334 PolarHBondContact O-N 2.89Å
331	I	97.7	Very high	97.4	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.077	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-41.7	175.2	-65.5	-57.5	0	0	0	110.9	L278 E279 I282 M302 A327 I328 Q334 L335	L278-I331 HydrophobicContact CB-CD1 3.75Å; L278-I331 HydrophobicContact CB-CG1 3.92Å; L278-I331 HydrophobicContact CB-CG2 4.32Å; L278-I331 HydrophobicContact CD1-CG1 4.1Å; E279-I331 HydrophobicContact CG-CD1 3.77Å; I282-I331 HydrophobicContact CD1-CG2 4.04Å; I282-I331 HydrophobicContact CG1-CG2 3.74Å; M302-I331 HydrophobicContact CE-CG2 4.06Å; A327-I331 WeakPolarHBondContact O-CG1 3.37Å; A327-I331 PolarHBondContact O-N 2.9Å; I328-I331 WeakPolarHBondContact O-CB 3.47Å; I328-I331 PolarHBondContact O-N 2.84Å; I328-I331 VanDerWaalsContact O-N 3.09Å; I331-Q334 PolarHBondContact O-N 2.85Å; I331-L335 PolarHBondContact O-N 3.08Å; I331-L335 VanDerWaalsContact O-N 3.08Å
332	V	98.4	Very high	97.4	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-42.8	173.6	175.4	0	0	0	0	110.8	N184 I185 L188 I328 D329 R330 Q334 L335 M336 L352	N184-V332 HydrophobicContact CB-CB 4.4Å; N184-V332 HydrophobicContact CB-CG1 4.08Å; I185-V332 HydrophobicContact CD1-CG2 4.32Å; I185-V332 HydrophobicContact CG1-CB 4.28Å; I185-V332 HydrophobicContact CG1-CG1 4.31Å; I185-V332 HydrophobicContact CG1-CG2 3.97Å; L188-V332 HydrophobicContact CD1-CG1 3.55Å; I328-V332 PolarHBondContact O-N 2.88Å; D329-V332 PolarHBondContact O-N 3.39Å; R330-V332 VanDerWaalsContact C-N 3.32Å; R330-V332 PolarHBondContact O-N 2.8Å; V332-Q334 PolarHBondContact O-N 2.84Å; V332-L335 WeakPolarHBondContact O-CB 3.44Å; V332-L335 PolarHBondContact O-N 2.55Å; V332-M336 WeakPolarHBondContact O-CG 3.43Å; V332-M336 PolarHBondContact O-N 3.43Å; V332-L352 HydrophobicContact CG2-CD1 4.49Å
333	G	98.2	Very high	97.4	Very high	5 Å²	5	35.4 Å²	35.4	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-42.9	174.8	0	0	0	0	0	113.1	N184 D329 R330 L335 M336 D337	N184-G333 VanDerWaalsContact CG-CA 3.5Å; N184-G333 WeakPolarHBondContact OD1-CA 3.46Å; D329-G333 PolarHBondContact O-N 3.46Å; R330-G333 CarbonylContact O-C 3.54Å; R330-G333 PolarHBondContact O-N 3.38Å; G333-L335 VanDerWaalsContact C-N 3.33Å; G333-L335 PolarHBondContact O-N 2.68Å; G333-M336 PolarHBondContact O-N 3.37Å; G333-D337 WeakPolarHBondContact O-CB 3.26Å; G333-D337 PolarHBondContact O-N 3.17Å
334	Q	98.2	Very high	97.5	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-42.8	175.2	-73.6	177.2	-15	0	0	111.6	E98 T128 I282 R330 I331 V332 G338	E98-Q334 PolarHBondContact OE1-NE2 3.05Å; T128-Q334 VanDerWaalsContact CB-O 3.24Å; T128-Q334 WeakPolarHBondContact CB-O 3.38Å; T128-Q334 HydrophobicContact CG2-CB 4.24Å; T128-Q334 WeakPolarHBondContact CG2-O 3.06Å; T128-Q334 WeakPolarHBondContact OG1-CB 3.49Å; T128-Q334 WeakPolarHBondContact OG1-CG 3.04Å; I282-Q334 HydrophobicContact CG2-CB 4.38Å; R330-Q334 WeakPolarHBondContact O-CG 3.38Å; R330-Q334 PolarHBondContact O-N 2.89Å; I331-Q334 PolarHBondContact O-N 2.85Å; V332-Q334 PolarHBondContact O-N 2.84Å; Q334-G338 PolarHBondContact O-N 2.93Å
335	L	98.3	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-51.9	173.9	178.3	64.1	0	0	0	111.3	I163 L165 I282 L285 L286 I331 V332 G333 D337 G338 L339	I163-L335 HydrophobicContact CD1-CD1 4.46Å; I163-L335 HydrophobicContact CG2-CD2 4.31Å; L165-L335 HydrophobicContact CD1-CD2 3.36Å; L165-L335 HydrophobicContact CD2-CD2 4.12Å; L165-L335 HydrophobicContact CG-CD2 4.19Å; I282-L335 HydrophobicContact CD1-CB 3.99Å; I282-L335 HydrophobicContact CD1-CD1 4.33Å; I282-L335 HydrophobicContact CG2-CB 4.34Å; L285-L335 HydrophobicContact CD2-CD1 3.94Å; L286-L335 HydrophobicContact CD2-CD1 4.31Å; I331-L335 PolarHBondContact O-N 3.08Å; I331-L335 VanDerWaalsContact O-N 3.08Å; V332-L335 WeakPolarHBondContact O-CB 3.44Å; V332-L335 PolarHBondContact O-N 2.55Å; G333-L335 VanDerWaalsContact C-N 3.33Å; G333-L335 PolarHBondContact O-N 2.68Å; L335-D337 PolarHBondContact O-N 2.77Å; L335-G338 PolarHBondContact O-N 3.5Å; L335-L339 HydrophobicContact CD1-CD1 4.02Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CD2-CD1 4.46Å; L335-L339 HydrophobicContact CG-CD1 3.86Å; L335-L339 HydrophobicContact CG-CG 4.33Å; L335-L339 WeakPolarHBondContact O-CB 3.25Å; L335-L339 VanDerWaalsContact O-CG 3.29Å; L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 2.84Å
336	M	98.7	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-40.1	-175.5	-66.4	-50.1	-65.8	0	0	112.4	W140 L188 V332 G333 L339 K340 I350 Y483	W140-M336 HydrophobicContact CB-CB 3.94Å; W140-M336 HydrophobicContact CD2-CB 3.64Å; W140-M336 HydrophobicContact CD2-CE 3.93Å; W140-M336 HydrophobicContact CD2-CG 3.97Å; W140-M336 VanDerWaalsContact CE2-CE 3.45Å; W140-M336 HydrophobicContact CE3-CB 3.67Å; W140-M336 HydrophobicContact CE3-CG 3.83Å; W140-M336 HydrophobicContact CG-CB 3.75Å; W140-M336 HydrophobicContact CG-CE 4.23Å; W140-M336 HydrophobicContact CH2-CE 4.46Å; W140-M336 HydrophobicContact CH2-CG 4.42Å; W140-M336 HydrophobicContact CZ2-CE 3.77Å; W140-M336 HydrophobicContact CZ3-CB 4.39Å; W140-M336 HydrophobicContact CZ3-CG 4.05Å; L188-M336 HydrophobicContact CD2-CE 4.2Å; L188-M336 HydrophobicContact CD2-SD 4.18Å; V332-M336 WeakPolarHBondContact O-CG 3.43Å; V332-M336 PolarHBondContact O-N 3.43Å; G333-M336 PolarHBondContact O-N 3.37Å; M336-L339 PolarHBondContact O-N 3.12Å; M336-L339 HydrophobicContact SD-CD1 4.09Å; M336-K340 WeakPolarHBondContact O-CB 3.3Å; M336-K340 PolarHBondContact O-N 2.89Å; M336-I350 HydrophobicContact CE-CD1 4.05Å; M336-I350 HydrophobicContact SD-CD1 3.32Å; M336-I350 WeakPolarHBondContact SD-CD1 3.34Å; M336-Y483 HydrophobicContact CE-CD1 4.19Å; M336-Y483 HydrophobicContact CE-CE1 3.75Å
337	D	98.4	Very high	97.7	Very high	23 Å²	23	28.5 Å²	28.5	12%	0.123	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-43.4	174.3	-75.3	-16.6	0	0	0	110.9	T128 S139 W140 G333 L335 L339 K340 Q341	T128-D337 VanDerWaalsContact O-CB 3.24Å; T128-D337 WeakPolarHBondContact O-CB 3.28Å; S139-D337 WeakPolarHBondContact CA-OD1 3.43Å; S139-D337 WeakPolarHBondContact CB-OD1 3.46Å; W140-D337 PolarHBondContact N-OD1 2.78Å; G333-D337 WeakPolarHBondContact O-CB 3.26Å; G333-D337 PolarHBondContact O-N 3.17Å; L335-D337 PolarHBondContact O-N 2.77Å; D337-L339 PolarHBondContact O-N 2.9Å; D337-K340 WeakPolarHBondContact O-CB 3.41Å; D337-K340 PolarHBondContact O-N 2.95Å; D337-Q341 VanDerWaalsContact O-CG 3.29Å; D337-Q341 WeakPolarHBondContact O-CG 3.3Å; D337-Q341 PolarHBondContact O-N 2.93Å
338	G	97.8	Very high	97.8	Very high	3 Å²	3	26 Å²	26	3%	0.031	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-47.7	173.6	0	0	0	0	0	112.9	Q334 L335 K340 Q341 M342	Q334-G338 PolarHBondContact O-N 2.93Å; L335-G338 PolarHBondContact O-N 3.5Å; G338-K340 VanDerWaalsContact C-N 3.3Å; G338-K340 PolarHBondContact O-N 3.21Å; G338-Q341 WeakPolarHBondContact O-CB 2.97Å; G338-Q341 PolarHBondContact O-N 3.47Å; G338-M342 WeakPolarHBondContact O-CG 3.41Å; G338-M342 PolarHBondContact O-N 2.82Å; G338-M342 VanDerWaalsContact O-N 3.12Å
339	L	98.2	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-37.7	174.8	-70.5	171.1	0	0	0	111.8	I163 L286 L289 L335 M336 D337 M342 K343 L344 H345 V348 I350	I163-L339 HydrophobicContact CD1-CD1 4.11Å; I163-L339 HydrophobicContact CD1-CD2 4.13Å; L286-L339 HydrophobicContact CD2-CD2 4.15Å; L286-L339 HydrophobicContact CD2-CG 4.23Å; L289-L339 HydrophobicContact CD1-CD2 3.62Å; L335-L339 HydrophobicContact CD1-CD1 4.02Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CD2-CD1 4.46Å; L335-L339 HydrophobicContact CG-CD1 3.86Å; L335-L339 HydrophobicContact CG-CG 4.33Å; L335-L339 WeakPolarHBondContact O-CB 3.25Å; L335-L339 VanDerWaalsContact O-CG 3.29Å; L335-L339 WeakPolarHBondContact O-CG 3.3Å; L335-L339 PolarHBondContact O-N 2.84Å; M336-L339 PolarHBondContact O-N 3.12Å; M336-L339 HydrophobicContact SD-CD1 4.09Å; D337-L339 PolarHBondContact O-N 2.9Å; L339-M342 PolarHBondContact O-N 3.47Å; L339-K343 PolarHBondContact O-N 3.12Å; L339-L344 HydrophobicContact CB-CB 4.44Å; L339-L344 HydrophobicContact CD2-CB 3.87Å; L339-L344 HydrophobicContact CD2-CD1 4.47Å; L339-L344 WeakPolarHBondContact O-CA 3.33Å; L339-L344 PolarHBondContact O-N 3.3Å; L339-H345 HydrophobicContact CB-CB 4.12Å; L339-H345 PolarHBondContact O-N 2.88Å; L339-H345 VanDerWaalsContact O-N 3.15Å; L339-V348 HydrophobicContact CD1-CG2 3.75Å; L339-V348 HydrophobicContact CD2-CG1 4.16Å; L339-V348 HydrophobicContact CD2-CG2 4.19Å; L339-I350 HydrophobicContact CD1-CD1 3.87Å
340	K	97.6	Very high	97.9	Very high	39 Å²	39	25.6 Å²	25.6	17%	0.17	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176	-175.6	179.4	176.3	-176.7	0	111.1	T138 W140 D143 M336 D337 G338 M342 K343 H345	T138-K340 PolarHBondContact O-NZ 3.07Å; T138-K340 PolarHBondContact OG1-NZ 3.47Å; W140-K340 HydrophobicContact CB-CD 4.28Å; D143-K340 IonicContact OD1-NZ 2.79Å; D143-K340 PolarHBondContact OD1-NZ 3.14Å; D143-K340 WeakPolarHBondContact OD2-CE 3.32Å; D143-K340 IonicContact OD2-NZ 3.26Å; D143-K340 PolarHBondContact OD2-NZ 3.13Å; M336-K340 WeakPolarHBondContact O-CB 3.3Å; M336-K340 PolarHBondContact O-N 2.89Å; D337-K340 WeakPolarHBondContact O-CB 3.41Å; D337-K340 PolarHBondContact O-N 2.95Å; G338-K340 VanDerWaalsContact C-N 3.3Å; G338-K340 PolarHBondContact O-N 3.21Å; K340-M342 PolarHBondContact O-N 2.98Å; K340-K343 PolarHBondContact O-N 2.75Å; K340-H345 HydrophobicContact CB-CB 4.22Å
341	Q	95.8	Very high	98	Very high	23 Å²	23	18.5 Å²	18.5	11%	0.107	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-36.2	177.3	-69.3	-172.8	89.8	0	0	112.9	C127 T128 R131 D337 G338 K343	C127-Q341 PolarHBondContact O-NE2 2.96Å; T128-Q341 PolarHBondContact O-NE2 2.92Å; R131-Q341 HydrophobicContact CB-CG 3.9Å; R131-Q341 HydrophobicContact CG-CB 4.42Å; R131-Q341 HydrophobicContact CG-CG 3.88Å; D337-Q341 VanDerWaalsContact O-CG 3.29Å; D337-Q341 WeakPolarHBondContact O-CG 3.3Å; D337-Q341 PolarHBondContact O-N 2.93Å; G338-Q341 WeakPolarHBondContact O-CB 2.97Å; G338-Q341 PolarHBondContact O-N 3.47Å; Q341-K343 VanDerWaalsContact C-N 3.3Å
342	M	95.1	Very high	98	Very high	44 Å²	44	17.8 Å²	17.8	22%	0.217	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	2.4	177.6	-62.1	176.9	74	0	0	113.9	L286 L289 H290 G338 L339 K340 L344	L286-M342 HydrophobicContact CB-SD 4.07Å; L286-M342 HydrophobicContact CD2-SD 3.86Å; L286-M342 WeakPolarHBondContact O-CE 3.46Å; L289-M342 HydrophobicContact CB-CE 4.01Å; H290-M342 HydrophobicContact CB-CE 3.7Å; G338-M342 WeakPolarHBondContact O-CG 3.41Å; G338-M342 PolarHBondContact O-N 2.82Å; G338-M342 VanDerWaalsContact O-N 3.12Å; L339-M342 PolarHBondContact O-N 3.47Å; K340-M342 PolarHBondContact O-N 2.98Å; M342-L344 HydrophobicContact CB-CB 4.42Å; M342-L344 HydrophobicContact CB-CD1 3.9Å; M342-L344 HydrophobicContact CB-CG 4.05Å; M342-L344 HydrophobicContact CE-CD1 3.93Å; M342-L344 PolarHBondContact O-N 2.86Å; M342-L344 HydrophobicContact SD-CD1 4.32Å
343	K	96.5	Very high	98	Very high	145 Å²	145	17.6 Å²	17.6	63%	0.63	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	33.3	-172.8	-54.7	178.7	179	-179.1	0	113.4	P154 L339 K340 Q341	P154-K343 HydrophobicContact CG-CB 4.49Å; L339-K343 PolarHBondContact O-N 3.12Å; K340-K343 PolarHBondContact O-N 2.75Å; Q341-K343 VanDerWaalsContact C-N 3.3Å
344	L	98.1	Very high	98	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	8%	0.079	C	C	.	.			trans	-107.5	-13.5	-180	-71.7	174.3	0	0	0	114.1	P154 F157 L289 L339 M342 R346 C347 V348	P154-L344 VanDerWaalsContact CD-CD2 3.5Å; P154-L344 HydrophobicContact CG-CD2 3.96Å; P154-L344 HydrophobicContact CG-CG 4.48Å; F157-L344 HydrophobicContact CD2-CD2 4.38Å; F157-L344 HydrophobicContact CE1-CD2 4Å; F157-L344 HydrophobicContact CE2-CD2 3.8Å; F157-L344 HydrophobicContact CZ-CD1 4.12Å; F157-L344 HydrophobicContact CZ-CD2 3.58Å; F157-L344 HydrophobicContact CZ-CG 4.49Å; L289-L344 HydrophobicContact CB-CD1 4.02Å; L289-L344 HydrophobicContact CD1-CD1 4.25Å; L289-L344 HydrophobicContact CD2-CD1 4.4Å; L289-L344 HydrophobicContact CG-CD1 4.48Å; L339-L344 HydrophobicContact CB-CB 4.44Å; L339-L344 HydrophobicContact CD2-CB 3.87Å; L339-L344 HydrophobicContact CD2-CD1 4.47Å; L339-L344 WeakPolarHBondContact O-CA 3.33Å; L339-L344 PolarHBondContact O-N 3.3Å; M342-L344 HydrophobicContact CB-CB 4.42Å; M342-L344 HydrophobicContact CB-CD1 3.9Å; M342-L344 HydrophobicContact CB-CG 4.05Å; M342-L344 HydrophobicContact CE-CD1 3.93Å; M342-L344 PolarHBondContact O-N 2.86Å; M342-L344 HydrophobicContact SD-CD1 4.32Å; L344-R346 PolarHBondContact O-N 3.15Å; L344-C347 HydrophobicContact CD2-CB 3.98Å; L344-C347 WeakPolarHBondContact O-CA 3.36Å; L344-C347 WeakPolarHBondContact O-CB 3.41Å; L344-C347 PolarHBondContact O-N 2.98Å; L344-V348 HydrophobicContact CB-CG1 4.26Å; L344-V348 PolarHBondContact O-N 3.29Å
345	H	98.1	Very high	98.1	Very high	37 Å²	37	16.9 Å²	16.9	17%	0.171	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.1	-178.9	68.1	-59.4	0	0	0	115.2	L339 K340	L339-H345 HydrophobicContact CB-CB 4.12Å; L339-H345 PolarHBondContact O-N 2.88Å; L339-H345 VanDerWaalsContact O-N 3.15Å; K340-H345 HydrophobicContact CB-CB 4.22Å
346	R	98.4	Very high	98.1	Very high	31 Å²	31	16.9 Å²	16.9	12%	0.117	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	8.5	174.7	-62	171.9	66.6	97	3	113.3	E146 I148 E152 L344	E146-R346 VanDerWaalsContact CB-NH1 3.29Å; E146-R346 IonicContact OE2-CZ 3.55Å; E146-R346 IonicContact OE2-NH1 3.54Å; E146-R346 PolarHBondContact OE2-NH1 3.5Å; E146-R346 IonicContact OE2-NH2 2.83Å; I148-R346 HydrophobicContact CD1-CB 4.26Å; I148-R346 HydrophobicContact CD1-CG 4.18Å; I148-R346 HydrophobicContact CG1-CB 4.31Å; I148-R346 HydrophobicContact CG1-CG 4.16Å; I148-R346 HydrophobicContact CG2-CB 4.42Å; E152-R346 HydrophobicContact CB-CB 3.97Å; E152-R346 PolarHBondContact N-O 3.19Å; E152-R346 IonicContact OE1-CZ 3.02Å; E152-R346 VanDerWaalsContact OE1-CZ 3.25Å; E152-R346 IonicContact OE1-NE 3.8Å; E152-R346 PolarHBondContact OE1-NE 3.44Å; E152-R346 IonicContact OE1-NH2 3.37Å; E152-R346 PolarHBondContact OE1-NH2 3.29Å; E152-R346 VanDerWaalsContact OE2-CD 3.29Å; E152-R346 WeakPolarHBondContact OE2-CD 3.17Å; E152-R346 IonicContact OE2-CZ 3.47Å; E152-R346 IonicContact OE2-NE 3.04Å; E152-R346 PolarHBondContact OE2-NE 3.39Å; L344-R346 PolarHBondContact O-N 3.15Å
347	C	98.4	Very high	98.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-48	177	175.5	0	0	0	0	111.7	E152 C153 P160 L344 P485	E152-C347 WeakPolarHBondContact O-CB 3.33Å; C153-C347 VanDerWaalsContact CA-SG 3.57Å; C153-C347 HydrophobicContact CB-CB 3.86Å; C153-C347 WeakPolarHBondContact CB-SG 3.29Å; C153-C347 VanDerWaalsContact SG-CA 3.59Å; C153-C347 WeakPolarHBondContact SG-CB 3.38Å; C153-C347 CovalentContact SG-SG 2.03Å; C153-C347 PolarHBondContact SG-SG 3Å; P160-C347 VanDerWaalsContact CB-O 3.26Å; P160-C347 WeakPolarHBondContact CB-O 3.4Å; L344-C347 HydrophobicContact CD2-CB 3.98Å; L344-C347 WeakPolarHBondContact O-CA 3.36Å; L344-C347 WeakPolarHBondContact O-CB 3.41Å; L344-C347 PolarHBondContact O-N 2.98Å; C347-P485 WeakPolarHBondContact O-CG 3.32Å
348	V	98.6	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.071	C	C	.	.			trans	-76.7	151	-172.2	-57.7	0	0	0	0	112.2	P161 I163 L339 L344 I350 G484 P485	P161-V348 HydrophobicContact CB-CG1 4.18Å; P161-V348 HydrophobicContact CG-CG1 4.1Å; P161-V348 WeakPolarHBondContact O-CA 3.05Å; I163-V348 HydrophobicContact CD1-CB 4.25Å; I163-V348 HydrophobicContact CD1-CG1 4.3Å; I163-V348 HydrophobicContact CD1-CG2 4.12Å; L339-V348 HydrophobicContact CD1-CG2 3.75Å; L339-V348 HydrophobicContact CD2-CG1 4.16Å; L339-V348 HydrophobicContact CD2-CG2 4.19Å; L344-V348 HydrophobicContact CB-CG1 4.26Å; L344-V348 PolarHBondContact O-N 3.29Å; V348-I350 HydrophobicContact CG2-CD1 4.12Å; V348-I350 HydrophobicContact CG2-CG1 3.9Å; V348-G484 WeakPolarHBondContact O-CA 3.29Å; V348-P485 VanDerWaalsContact O-CD 3.28Å; V348-P485 WeakPolarHBondContact O-CD 3.1Å
349	N	98.8	Very high	98.1	Very high	1 Å²	1	16 Å²	16	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.5	162	-70.4	-55.7	0	0	0	109.2	P160 P161 L162 I163 Y483 P485 T486 F487 L508	P160-N349 WeakPolarHBondContact CB-ND2 3.5Å; P161-N349 PolarHBondContact O-N 3.23Å; L162-N349 CarbonylContact C-O 3.58Å; L162-N349 WeakPolarHBondContact CA-O 3.15Å; L162-N349 HydrophobicContact CD1-CB 4.23Å; I163-N349 PolarHBondContact N-O 3.48Å; N349-Y483 CarbonylContact C-O 3.55Å; N349-Y483 WeakPolarHBondContact CA-O 3.21Å; N349-P485 WeakPolarHBondContact OD1-CD 3.32Å; N349-T486 PolarHBondContact ND2-OG1 3.43Å; N349-T486 WeakPolarHBondContact OD1-CB 3.42Å; N349-T486 PolarHBondContact OD1-N 2.98Å; N349-T486 VanDerWaalsContact OD1-N 3.12Å; N349-T486 PolarHBondContact OD1-OG1 2.88Å; N349-F487 HydrophobicContact CB-CE2 4.37Å; N349-L508 HydrophobicContact CB-CD1 4.49Å
350	I	98.9	Very high	98	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	179.9	-56	177.8	0	0	0	108.5	I163 L165 M336 L339 V348 G482 Y483	I163-I350 HydrophobicContact CB-CG1 4.39Å; I163-I350 CarbonylContact O-C 3.56Å; I163-I350 WeakPolarHBondContact O-CA 3.07Å; L165-I350 HydrophobicContact CD1-CG2 4.19Å; M336-I350 HydrophobicContact CE-CD1 4.05Å; M336-I350 HydrophobicContact SD-CD1 3.32Å; M336-I350 WeakPolarHBondContact SD-CD1 3.34Å; L339-I350 HydrophobicContact CD1-CD1 3.87Å; V348-I350 HydrophobicContact CG2-CD1 4.12Å; V348-I350 HydrophobicContact CG2-CG1 3.9Å; I350-G482 WeakPolarHBondContact O-CA 3.31Å; I350-Y483 HydrophobicContact CD1-CD1 4.42Å; I350-Y483 PolarHBondContact N-O 3.07Å; I350-Y483 PolarHBondContact O-N 2.79Å
351	I	98.9	Very high	97.8	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.7	165.4	-67.2	176.6	0	0	0	107.1	L162 I163 L165 V353 F480 L481 F487 M505 L508	L162-I351 HydrophobicContact CD1-CD1 4.04Å; L162-I351 HydrophobicContact CD1-CG1 4.11Å; I163-I351 PolarHBondContact O-N 3.01Å; L165-I351 PolarHBondContact N-O 3.17Å; I351-V353 HydrophobicContact CG2-CB 3.91Å; I351-V353 HydrophobicContact CG2-CG1 4.11Å; I351-F480 HydrophobicContact CG1-CE2 4.43Å; I351-F480 HydrophobicContact CG2-CD2 4.2Å; I351-F480 HydrophobicContact CG2-CE2 3.97Å; I351-L481 WeakPolarHBondContact CA-O 3.44Å; I351-F487 HydrophobicContact CD1-CZ 4.12Å; I351-F487 HydrophobicContact CG1-CE2 4.05Å; I351-F487 HydrophobicContact CG1-CZ 3.73Å; I351-M505 HydrophobicContact CD1-CG 3.78Å; I351-L508 HydrophobicContact CD1-CD1 3.98Å
352	L	98.8	Very high	97.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.9	165.7	-177.6	68.8	0	0	0	108.1	L165 V167 I185 V332 I479 L481	L165-L352 HydrophobicContact CB-CD1 3.64Å; L165-L352 HydrophobicContact CD1-CD1 4.36Å; L165-L352 WeakPolarHBondContact O-CA 3.04Å; V167-L352 HydrophobicContact CG1-CD1 4.07Å; V167-L352 HydrophobicContact CG2-CD1 4.27Å; I185-L352 HydrophobicContact CB-CD2 4.4Å; I185-L352 HydrophobicContact CD1-CD2 4.36Å; I185-L352 HydrophobicContact CG1-CD2 3.89Å; I185-L352 HydrophobicContact CG2-CD2 3.87Å; V332-L352 HydrophobicContact CG2-CD1 4.49Å; L352-I479 HydrophobicContact CD2-CD1 4.17Å; L352-I479 HydrophobicContact CG-CD1 4.16Å; L352-L481 HydrophobicContact CB-CB 4.26Å; L352-L481 HydrophobicContact CB-CD1 4.44Å; L352-L481 HydrophobicContact CD2-CD1 3.83Å; L352-L481 PolarHBondContact N-O 2.91Å; L352-L481 PolarHBondContact O-N 3.24Å
353	V	98.8	Very high	97.3	Very high	1 Å²	1	18 Å²	18	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	138.7	-168.3	65.5	0	0	0	0	110.5	I164 L165 S166 V167 M198 I213 I351 I479 L501	I164-V353 HydrophobicContact CG2-CG1 4.23Å; L165-V353 PolarHBondContact O-N 3.09Å; S166-V353 CarbonylContact C-O 3.59Å; S166-V353 WeakPolarHBondContact CA-O 3.36Å; V167-V353 PolarHBondContact N-O 3.34Å; M198-V353 HydrophobicContact CE-CG2 3.28Å; M198-V353 HydrophobicContact SD-CG2 4.02Å; I213-V353 HydrophobicContact CD1-CG2 4.1Å; I351-V353 HydrophobicContact CG2-CB 3.91Å; I351-V353 HydrophobicContact CG2-CG1 4.11Å; V353-I479 WeakPolarHBondContact CA-O 3.44Å; V353-L501 HydrophobicContact CG2-CD1 3.81Å
354	G	98.6	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	159.6	166.4	0	0	0	0	0	110.6	V167 M198 T478 I479	V167-G354 WeakPolarHBondContact O-CA 3.19Å; M198-G354 VanDerWaalsContact CE-O 3.27Å; M198-G354 WeakPolarHBondContact CE-O 3.31Å; G354-T478 WeakPolarHBondContact CA-OG1 3.15Å; G354-T478 WeakPolarHBondContact O-CG2 3.29Å; G354-I479 PolarHBondContact N-O 2.94Å
355	D	98.4	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-92.4	-39.3	179.7	59	-16.2	0	0	0	112.5	D168 G169 P200 T206 N209 L210	D168-D355 WeakPolarHBondContact CA-OD1 3.12Å; G169-D355 PolarHBondContact N-OD1 3.44Å; P200-D355 WeakPolarHBondContact CB-O 3.24Å; T206-D355 WeakPolarHBondContact CA-OD2 3.48Å; T206-D355 WeakPolarHBondContact CG2-OD2 3.32Å; N209-D355 HydrophobicContact CB-CB 3.88Å; N209-D355 VanDerWaalsContact CB-O 3.29Å; N209-D355 WeakPolarHBondContact CB-O 3.45Å; N209-D355 PolarHBondContact OD1-O 3.31Å; L210-D355 HydrophobicContact CD2-CB 3.67Å; L210-D355 HydrophobicContact CG-CB 4.21Å
356	H	98.8	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.			trans	-152.6	178.8	173	53.9	75.4	0	0	0	111.3	D168 G169 F170 T206 D308 H467 T478	D168-H356 IonicContact OD1-CE1 3.8Å; D168-H356 PolarHBondContact OD1-CE1 2.8Å; D168-H356 IonicContact OD1-NE2 2.77Å; D168-H356 PolarHBondContact OD1-NE2 3.22Å; G169-H356 CarbonylContact C-O 3.4Å; G169-H356 WeakPolarHBondContact CA-O 3.47Å; F170-H356 CarbonylContact C-O 3.57Å; F170-H356 PolarHBondContact N-O 3.43Å; T206-H356 PolarHBondContact N-CD2 3.43Å; T206-H356 PolarHBondContact N-NE2 2.87Å; T206-H356 PolarHBondContact OG1-NE2 2.87Å; T206-H356 VanDerWaalsContact OG1-NE2 3.14Å; D308-H356 IonicContact OD1-CE1 3.62Å; D308-H356 PolarHBondContact OD1-CE1 2.02Å; H356-H467 AromaticContact CD2-CE1 3.87Å; H356-H467 AromaticContact CD2-ND1 3.62Å; H356-H467 AromaticContact CE1-CD2 3.65Å; H356-H467 AromaticContact CE1-CE1 3.07Å; H356-H467 PolarHBondContact CE1-CE1 3.37Å; H356-H467 AromaticContact CE1-CG 3.42Å; H356-H467 VanDerWaalsContact CE1-CG 3.42Å; H356-H467 AromaticContact CE1-ND1 3.05Å; H356-H467 PolarHBondContact CE1-ND1 2.85Å; H356-H467 AromaticContact CE1-NE2 3.52Å; H356-H467 AromaticContact CG-ND1 3.62Å; H356-H467 AromaticContact ND1-CE1 3.77Å; H356-H467 AromaticContact ND1-CG 3.44Å; H356-H467 AromaticContact ND1-ND1 3.26Å; H356-H467 PolarHBondContact ND1-ND1 3.34Å; H356-H467 AromaticContact NE2-CE1 3.03Å; H356-H467 PolarHBondContact NE2-CE1 2.98Å; H356-H467 AromaticContact NE2-ND1 3.2Å; H356-H467 PolarHBondContact NE2-ND1 3.4Å; H356-H467 AromaticContact NE2-NE2 3.86Å; H356-T478 WeakPolarHBondContact O-CB 3.04Å; H356-T478 PolarHBondContact O-OG1 3.34Å
357	G	98.5	Very high	96.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.			trans	-95.5	-156.3	169.6	0	0	0	0	0	113.3	H467 S475 M476	G357-H467 WeakPolarHBondContact O-CB 3.34Å; G357-S475 CarbonylContact C-O 3.53Å; G357-S475 VanDerWaalsContact CA-O 3.27Å; G357-S475 WeakPolarHBondContact CA-O 3.21Å; G357-M476 PolarHBondContact N-O 3.31Å
358	M	98.7	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.			trans	-152.3	132.2	-175.3	-176.3	62.2	66.1	0	0	110.5	R171 D308 P316 D466 S475	R171-M358 WeakPolarHBondContact CD-O 3.43Å; R171-M358 PolarHBondContact NH1-O 2.98Å; D308-M358 WeakPolarHBondContact OD1-CE 3.33Å; P316-M358 HydrophobicContact CB-CB 4.14Å; P316-M358 HydrophobicContact CB-CG 3.95Å; P316-M358 HydrophobicContact CG-CG 4.3Å; M358-D466 PolarHBondContact SD-N 2.86Å; M358-S475 PolarHBondContact N-O 3.47Å
359	E	98.3	Very high	96.6	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	152	179.6	-176.8	59	-80.8	0	0	111	A361 R446 K447 G465 D466 Y469 S475 M476	E359-A361 PolarHBondContact O-N 3.22Å; E359-R446 HydrophobicContact CG-CB 4.45Å; E359-K447 HydrophobicContact CG-CB 4.44Å; E359-K447 HydrophobicContact CG-CG 3.7Å; E359-G465 CarbonylContact O-C 3.58Å; E359-G465 WeakPolarHBondContact O-CA 3.28Å; E359-D466 WeakPolarHBondContact CA-O 3.14Å; E359-D466 WeakPolarHBondContact CB-O 3.41Å; E359-D466 PolarHBondContact N-O 3.32Å; E359-D466 PolarHBondContact O-N 2.84Å; E359-Y469 HydrophobicContact CB-CD2 4.23Å; E359-Y469 HydrophobicContact CB-CE2 3.85Å; E359-Y469 HydrophobicContact CG-CE2 4.17Å; E359-S475 VanDerWaalsContact CD-OG 3.3Å; E359-S475 WeakPolarHBondContact OE2-CB 3.43Å; E359-S475 PolarHBondContact OE2-OG 3Å; E359-M476 HydrophobicContact CB-CE 3.66Å
360	E	96.9	Very high	96.4	Very high	67 Å²	67	20.7 Å²	20.7	31%	0.313	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.2	170.2	-64.9	179.6	124.7	0	0	110.5	P316 M317 R365 K447	P316-E360 HydrophobicContact CG-CG 3.81Å; M317-E360 HydrophobicContact CG-CG 4.34Å; E360-R365 PolarHBondContact O-NH2 2.84Å; E360-K447 VanDerWaalsContact O-CA 3.25Å; E360-K447 WeakPolarHBondContact O-CA 3.42Å; E360-K447 VanDerWaalsContact O-CB 3.23Å; E360-K447 WeakPolarHBondContact O-CB 3.43Å; E360-K447 WeakPolarHBondContact O-CG 3.48Å; E360-K447 IonicContact OE2-NZ 2.66Å; E360-K447 PolarHBondContact OE2-NZ 3.42Å
361	A	93.8	Very high	96.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	13%	0.129	C	C	.	.			trans	-130.9	141.8	179.5	0	0	0	0	0	109.7	E359 F463 S464 D466	E359-A361 PolarHBondContact O-N 3.22Å; A361-F463 HydrophobicContact CB-CD2 4.01Å; A361-F463 HydrophobicContact CB-CE2 3.71Å; A361-S464 PolarHBondContact N-O 2.78Å; A361-S464 VanDerWaalsContact N-O 3.13Å; A361-S464 CarbonylContact O-C 3.57Å; A361-S464 WeakPolarHBondContact O-CA 3.49Å; A361-D466 HydrophobicContact CB-CB 3.73Å
362	H	90.8	Very high	96	Very high	63 Å²	63	26.4 Å²	26.4	29%	0.292	13%	0.133	S	C	.	.			trans	-144.5	147.6	-179.7	-161.7	-104.5	0	0	0	110	D364 R365 C461	H362-D364 IonicContact CE1-OD2 2.99Å; H362-D364 PolarHBondContact CE1-OD2 3.47Å; H362-D364 VanDerWaalsContact ND1-CG 3.29Å; H362-D364 PolarHBondContact ND1-N 3.39Å; H362-D364 IonicContact ND1-OD1 2.65Å; H362-D364 IonicContact ND1-OD2 3.44Å; H362-D364 PolarHBondContact ND1-OD2 3.22Å; H362-D364 PolarHBondContact O-N 3.4Å; H362-D364 VanDerWaalsContact O-N 3.16Å; H362-R365 PolarHBondContact O-N 3.11Å; H362-C461 PolarHBondContact CE1-SG 3.42Å; H362-C461 PolarHBondContact NE2-SG 3.34Å
363	C	88.8	Confident	95.8	Very high	15 Å²	15	27.3 Å²	27.3	10%	0.101	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.7	-176.7	71.9	0	0	0	0	114.2	R365 T366 R459 C461 F463	C363-R365 VanDerWaalsContact C-N 3.28Å; C363-T366 PolarHBondContact O-OG1 2.84Å; C363-R459 PolarHBondContact O-NH1 2.86Å; C363-C461 VanDerWaalsContact CA-SG 3.6Å; C363-C461 HydrophobicContact CB-CB 3.64Å; C363-C461 WeakPolarHBondContact CB-SG 3.43Å; C363-C461 PolarHBondContact N-SG 3.12Å; C363-C461 WeakPolarHBondContact SG-CA 3.45Å; C363-C461 WeakPolarHBondContact SG-CB 3.28Å; C363-C461 CovalentContact SG-SG 2.02Å; C363-C461 PolarHBondContact SG-SG 2.8Å; C363-F463 HydrophobicContact CB-CZ 4.41Å
364	D	91.6	Very high	95.3	Very high	107 Å²	107	34.9 Å²	34.9	57%	0.572	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-27.5	170.2	-61.4	-26.9	0	0	0	112.5	H362 T366	H362-D364 IonicContact CE1-OD2 2.99Å; H362-D364 PolarHBondContact CE1-OD2 3.47Å; H362-D364 VanDerWaalsContact ND1-CG 3.29Å; H362-D364 PolarHBondContact ND1-N 3.39Å; H362-D364 IonicContact ND1-OD1 2.65Å; H362-D364 IonicContact ND1-OD2 3.44Å; H362-D364 PolarHBondContact ND1-OD2 3.22Å; H362-D364 PolarHBondContact O-N 3.4Å; H362-D364 VanDerWaalsContact O-N 3.16Å; D364-T366 VanDerWaalsContact C-N 3.33Å; D364-T366 PolarHBondContact O-N 2.93Å
365	R	94.9	Very high	94.8	Very high	74 Å²	74	38.1 Å²	38.1	28%	0.279	20%	0.202	S	C	.	.	S	Bend	trans	-95.8	61.1	175.4	-65.4	-172.9	-61	-89	5.3	110	E360 H362 C363 K447 W448 H449	E360-R365 PolarHBondContact O-NH2 2.84Å; H362-R365 PolarHBondContact O-N 3.11Å; C363-R365 VanDerWaalsContact C-N 3.28Å; R365-K447 WeakPolarHBondContact CB-O 3.29Å; R365-K447 PolarHBondContact NE-O 3.29Å; R365-W448 HydrophobicContact CB-CD2 3.76Å; R365-W448 HydrophobicContact CB-CE3 3.84Å; R365-W448 HydrophobicContact CB-CG 4.23Å; R365-W448 HydrophobicContact CB-CH2 4.43Å; R365-W448 HydrophobicContact CB-CZ2 4.36Å; R365-W448 HydrophobicContact CB-CZ3 4.19Å; R365-W448 HydrophobicContact CG-CD2 4.38Å; R365-W448 HydrophobicContact CG-CH2 4.47Å; R365-W448 HydrophobicContact CG-CZ2 4.18Å; R365-W448 CarbonylContact O-C 3.58Å; R365-W448 WeakPolarHBondContact O-CA 3.28Å; R365-H449 PolarHBondContact O-N 3.23Å
366	T	95.5	Very high	94.5	Very high	21 Å²	21	38.7 Å²	38.7	13%	0.129	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	122	177.4	-54	0	0	0	0	110.7	C363 D364 F368 H449 A451	C363-T366 PolarHBondContact O-OG1 2.84Å; D364-T366 VanDerWaalsContact C-N 3.33Å; D364-T366 PolarHBondContact O-N 2.93Å; T366-F368 HydrophobicContact CG2-CD1 4.39Å; T366-F368 HydrophobicContact CG2-CD2 4.5Å; T366-F368 HydrophobicContact CG2-CE1 3.78Å; T366-F368 HydrophobicContact CG2-CE2 3.87Å; T366-F368 HydrophobicContact CG2-CZ 3.46Å; T366-F368 VanDerWaalsContact CG2-CZ 3.46Å; T366-F368 VanDerWaalsContact O-CD2 3.31Å; T366-F368 WeakPolarHBondContact O-CD2 3.37Å; T366-F368 WeakPolarHBondContact O-CE2 3.46Å; T366-H449 CarbonylContact C-O 3.48Å; T366-H449 WeakPolarHBondContact CA-O 3.37Å; T366-H449 HydrophobicContact CG2-CB 4.14Å; T366-A451 HydrophobicContact CG2-CB 3.69Å
367	E	97.1	Very high	94.1	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.3	168.9	-74.9	-77.9	-154.8	0	0	110.4	Y372 K412 H416 F417 W448 H449 V450 A451	E367-Y372 PolarHBondContact OE1-OH 2.89Å; E367-Y372 PolarHBondContact OE2-OH 3.39Å; E367-K412 IonicContact OE1-NZ 3.69Å; E367-K412 IonicContact OE2-NZ 2.98Å; E367-K412 PolarHBondContact OE2-NZ 3.19Å; E367-H416 HydrophobicContact CG-CB 4.18Å; E367-H416 IonicContact OE1-CD2 2.66Å; E367-F417 HydrophobicContact CB-CD1 3.77Å; E367-F417 HydrophobicContact CB-CE1 3.9Å; E367-F417 HydrophobicContact CG-CD1 3.93Å; E367-F417 HydrophobicContact CG-CE1 4.2Å; E367-W448 HydrophobicContact CG-CE3 4.12Å; E367-W448 HydrophobicContact CG-CZ3 4.25Å; E367-H449 PolarHBondContact N-O 2.98Å; E367-V450 CarbonylContact O-C 3.56Å; E367-V450 WeakPolarHBondContact O-CA 3.2Å; E367-A451 PolarHBondContact O-N 3Å
368	F	96.7	Very high	93.8	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.8	-178.6	-64.6	-81.3	0	0	0	110.5	T366 S370 N371 Y372 A451 K453 V454	T366-F368 HydrophobicContact CG2-CD1 4.39Å; T366-F368 HydrophobicContact CG2-CD2 4.5Å; T366-F368 HydrophobicContact CG2-CE1 3.78Å; T366-F368 HydrophobicContact CG2-CE2 3.87Å; T366-F368 HydrophobicContact CG2-CZ 3.46Å; T366-F368 VanDerWaalsContact CG2-CZ 3.46Å; T366-F368 VanDerWaalsContact O-CD2 3.31Å; T366-F368 WeakPolarHBondContact O-CD2 3.37Å; T366-F368 WeakPolarHBondContact O-CE2 3.46Å; F368-S370 PolarHBondContact O-N 3.17Å; F368-S370 VanDerWaalsContact O-N 3.14Å; F368-N371 WeakPolarHBondContact O-CB 3.4Å; F368-N371 PolarHBondContact O-N 3Å; F368-Y372 VanDerWaalsContact O-CD2 3.28Å; F368-Y372 WeakPolarHBondContact O-CD2 3.25Å; F368-A451 CarbonylContact C-O 3.57Å; F368-A451 WeakPolarHBondContact CA-O 3.25Å; F368-A451 HydrophobicContact CD1-CB 3.85Å; F368-A451 HydrophobicContact CE1-CB 3.73Å; F368-K453 WeakPolarHBondContact CD1-O 3.28Å; F368-K453 WeakPolarHBondContact CE1-O 3.1Å; F368-V454 HydrophobicContact CB-CG2 4.33Å; F368-V454 HydrophobicContact CD1-CG2 3.94Å; F368-V454 HydrophobicContact CD2-CG2 3.8Å; F368-V454 HydrophobicContact CE1-CG2 4.22Å; F368-V454 HydrophobicContact CE2-CG2 4.12Å; F368-V454 HydrophobicContact CG-CG2 3.72Å; F368-V454 HydrophobicContact CZ-CG2 4.33Å
369	L	97	Very high	93.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.8	-25.1	-179.6	-61.1	-171.3	0	0	0	113.1	N371 Y372 L373 V376 I379 L381 I389 L408 F417 L442 V450 A451 R452	L369-N371 PolarHBondContact O-N 3.45Å; L369-N371 VanDerWaalsContact O-N 3.13Å; L369-Y372 PolarHBondContact O-N 3.43Å; L369-L373 PolarHBondContact O-N 2.81Å; L369-V376 HydrophobicContact CB-CG1 4.04Å; L369-I379 HydrophobicContact CD1-CD1 3.97Å; L369-L381 HydrophobicContact CD1-CD1 4.15Å; L369-L381 HydrophobicContact CD1-CD2 3.85Å; L369-L381 HydrophobicContact CD1-CG 4.39Å; L369-L381 HydrophobicContact CG-CD2 4.28Å; L369-I389 HydrophobicContact CD1-CD1 3.7Å; L369-I389 HydrophobicContact CD1-CG1 4.31Å; L369-L408 HydrophobicContact CD2-CD2 4.08Å; L369-F417 HydrophobicContact CD2-CZ 4.17Å; L369-L442 HydrophobicContact CD1-CD1 4.45Å; L369-L442 HydrophobicContact CD2-CD1 3.92Å; L369-V450 HydrophobicContact CD2-CG2 3.74Å; L369-V450 HydrophobicContact CG-CG2 4.15Å; L369-A451 PolarHBondContact N-O 3.4Å; L369-R452 PolarHBondContact N-O 3.16Å
370	S	95.5	Very high	93.5	Very high	43 Å²	43	47.6 Å²	47.6	30%	0.301	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-60.2	-18.5	173.4	58.1	0	0	0	0	113.8	F368 Y372 R452	F368-S370 PolarHBondContact O-N 3.17Å; F368-S370 VanDerWaalsContact O-N 3.14Å; S370-Y372 VanDerWaalsContact C-N 3.3Å; S370-R452 PolarHBondContact N-O 2.59Å
371	N	95.1	Very high	93.5	Very high	97 Å²	97	45.3 Å²	45.3	52%	0.519	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-85.4	-4.8	175.8	-61.2	-15	0	0	0	112.8	F368 L369	F368-N371 WeakPolarHBondContact O-CB 3.4Å; F368-N371 PolarHBondContact O-N 3Å; L369-N371 PolarHBondContact O-N 3.45Å; L369-N371 VanDerWaalsContact O-N 3.13Å
372	Y	94.8	Very high	93.7	Very high	28 Å²	28	46.6 Å²	46.6	11%	0.11	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-34	-175.8	-60.3	-99.3	0	0	0	112.4	E367 F368 L369 S370 L408 K411 K412 Q415 F417	E367-Y372 PolarHBondContact OE1-OH 2.89Å; E367-Y372 PolarHBondContact OE2-OH 3.39Å; F368-Y372 VanDerWaalsContact O-CD2 3.28Å; F368-Y372 WeakPolarHBondContact O-CD2 3.25Å; L369-Y372 PolarHBondContact O-N 3.43Å; S370-Y372 VanDerWaalsContact C-N 3.3Å; Y372-L408 HydrophobicContact CG-CD2 4.08Å; Y372-K411 HydrophobicContact CD1-CB 3.72Å; Y372-K411 HydrophobicContact CD1-CG 4.1Å; Y372-K411 HydrophobicContact CE1-CB 3.96Å; Y372-K412 HydrophobicContact CE1-CD 4.23Å; Y372-K412 HydrophobicContact CE1-CG 4.04Å; Y372-K412 VanDerWaalsContact CZ-CE 3.43Å; Y372-K412 VanDerWaalsContact OH-CD 3.31Å; Y372-K412 WeakPolarHBondContact OH-CD 3.5Å; Y372-K412 WeakPolarHBondContact OH-CE 3.43Å; Y372-K412 PolarHBondContact OH-NZ 3.36Å; Y372-Q415 HydrophobicContact CE1-CG 4.28Å; Y372-F417 HydrophobicContact CD1-CZ 4.34Å; Y372-F417 HydrophobicContact CD2-CE1 4.46Å; Y372-F417 HydrophobicContact CD2-CZ 4.33Å; Y372-F417 HydrophobicContact CE1-CE1 4.21Å; Y372-F417 HydrophobicContact CE1-CZ 4.07Å; Y372-F417 AromaticContact CE2-CE1 3.8Å; Y372-F417 HydrophobicContact CE2-CE1 3.8Å; Y372-F417 HydrophobicContact CE2-CZ 4.08Å; Y372-F417 HydrophobicContact CG-CZ 4.47Å; Y372-F417 AromaticContact CZ-CE1 3.66Å; Y372-F417 AromaticContact CZ-CZ 3.94Å
373	L	92.6	Very high	94	Very high	20 Å²	20	47.3 Å²	47.3	11%	0.105	26%	0.259	C	S	.	.			trans	-112.8	137	-176.1	-58.5	177.5	0	0	0	110.3	L369 V376 I379 V404 N407 L408	L369-L373 PolarHBondContact O-N 2.81Å; L373-V376 HydrophobicContact CB-CG1 3.9Å; L373-V376 HydrophobicContact CD1-CG1 4.4Å; L373-I379 HydrophobicContact CD1-CD1 4.07Å; L373-V404 HydrophobicContact CD1-CG1 4.41Å; L373-N407 HydrophobicContact CD2-CB 3.74Å; L373-L408 HydrophobicContact CD1-CD2 4.2Å; L373-L408 HydrophobicContact CD2-CD2 4.01Å; L373-L408 HydrophobicContact CD2-CG 4.26Å; L373-L408 HydrophobicContact CG-CD2 3.9Å
374	T	88.3	Confident	94.4	Very high	160 Å²	160	47.1 Å²	47.1	98%	0.982	26%	0.26	S	S	*	.	S	Bend	trans	-66.7	-35.5	178.5	48.1	0	0	0	0	112.9
375	N	88.3	Confident	94.6	Very high	67 Å²	67	42.1 Å²	42.1	36%	0.358	23%	0.233	S	C	.	.			trans	-130.1	109.2	175.3	-173.5	0.1	0	0	0	111.1	D377 D378	N375-D377 WeakPolarHBondContact OD1-CB 3.32Å; N375-D377 PolarHBondContact OD1-N 3.15Å; N375-D378 PolarHBondContact ND2-OD1 3.27Å; N375-D378 PolarHBondContact ND2-OD2 3.12Å
376	V	92.6	Very high	94.8	Very high	13 Å²	13	39 Å²	39	8%	0.079	22%	0.222	C	C	.	.			trans	-99.4	-1	174.7	-66.3	0	0	0	0	113.4	L369 L373 I379 R452 K453	L369-V376 HydrophobicContact CB-CG1 4.04Å; L373-V376 HydrophobicContact CB-CG1 3.9Å; L373-V376 HydrophobicContact CD1-CG1 4.4Å; V376-I379 HydrophobicContact CB-CG1 4.47Å; V376-I379 VanDerWaalsContact O-CG1 3.3Å; V376-I379 WeakPolarHBondContact O-CG1 3.34Å; V376-R452 HydrophobicContact CB-CG 3.96Å; V376-R452 HydrophobicContact CG2-CG 4.29Å; V376-R452 WeakPolarHBondContact O-CD 3.5Å; V376-R452 PolarHBondContact O-NH1 2.91Å; V376-K453 HydrophobicContact CG2-CB 4.45Å
377	D	91.4	Very high	94.9	Very high	83 Å²	83	38 Å²	38	44%	0.444	22%	0.216	S	C	.	.	S	Bend	trans	-80.6	-24.5	177.8	-69.4	-38.8	0	0	0	111.8	N375 I379 R392 R452	N375-D377 WeakPolarHBondContact OD1-CB 3.32Å; N375-D377 PolarHBondContact OD1-N 3.15Å; D377-I379 PolarHBondContact O-N 2.91Å; D377-R392 PolarHBondContact O-NE 2.75Å; D377-R452 IonicContact OD1-CZ 3.38Å; D377-R452 IonicContact OD1-NH1 3.57Å; D377-R452 PolarHBondContact OD1-NH1 3.37Å; D377-R452 IonicContact OD1-NH2 2.68Å
378	D	91.4	Very high	95	Very high	62 Å²	62	37.7 Å²	37.7	33%	0.332	21%	0.214	S	C	.	.	S	Bend	trans	-75.7	-5.1	175.9	-68.9	-12.3	0	0	0	114.1	N375 R392	N375-D378 PolarHBondContact ND2-OD1 3.27Å; N375-D378 PolarHBondContact ND2-OD2 3.12Å; D378-R392 VanDerWaalsContact O-CB 3.29Å; D378-R392 WeakPolarHBondContact O-CB 3.3Å; D378-R392 PolarHBondContact O-N 3.36Å
379	I	94.8	Very high	95.1	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.3	-179.3	64.4	167.9	0	0	0	112.7	L369 L373 V376 D377 I389 R390 R392 Y399	L369-I379 HydrophobicContact CD1-CD1 3.97Å; L373-I379 HydrophobicContact CD1-CD1 4.07Å; V376-I379 HydrophobicContact CB-CG1 4.47Å; V376-I379 VanDerWaalsContact O-CG1 3.3Å; V376-I379 WeakPolarHBondContact O-CG1 3.34Å; D377-I379 PolarHBondContact O-N 2.91Å; I379-I389 HydrophobicContact CB-CG2 3.91Å; I379-I389 HydrophobicContact CD1-CG2 3.99Å; I379-I389 HydrophobicContact CG2-CG2 4.02Å; I379-R390 WeakPolarHBondContact CA-O 3.44Å; I379-R392 PolarHBondContact O-NH2 2.77Å; I379-Y399 HydrophobicContact CG2-CE2 4.01Å
380	I	96	Very high	95	Very high	45 Å²	45	39.2 Å²	39.2	23%	0.231	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.9	164.2	-63.5	171.3	0	0	0	107.1	I389 R390 R392	I380-I389 WeakPolarHBondContact O-CA 3.23Å; I380-R390 HydrophobicContact CB-CG 3.97Å; I380-R390 HydrophobicContact CG2-CG 4.48Å; I380-R390 PolarHBondContact N-O 3.16Å; I380-R390 PolarHBondContact O-N 3.34Å; I380-R392 HydrophobicContact CD1-CB 4.48Å; I380-R392 HydrophobicContact CG1-CB 4.18Å; I380-R392 HydrophobicContact CG1-CG 4.48Å
381	L	97.5	Very high	94.9	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.099	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.9	173.5	172.8	68.7	0	0	0	108.9	L369 P383 R388 I389 L442 A451 R452	L369-L381 HydrophobicContact CD1-CD1 4.15Å; L369-L381 HydrophobicContact CD1-CD2 3.85Å; L369-L381 HydrophobicContact CD1-CG 4.39Å; L369-L381 HydrophobicContact CG-CD2 4.28Å; L381-P383 HydrophobicContact CD2-CB 4.04Å; L381-P383 HydrophobicContact CG-CB 4.21Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å; L381-R388 CarbonylContact C-O 3.39Å; L381-R388 WeakPolarHBondContact CA-O 3.48Å; L381-I389 HydrophobicContact CD1-CG1 3.8Å; L381-L442 HydrophobicContact CD1-CD1 4.41Å; L381-A451 VanDerWaalsContact CD2-C 3.42Å; L381-R452 HydrophobicContact CB-CB 4.35Å; L381-R452 HydrophobicContact CD2-CB 4.13Å
382	I	97.3	Very high	94.8	Very high	28 Å²	28	37.8 Å²	37.8	14%	0.144	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	108.6	158.8	-60.9	179.4	0	0	0	106.5	G387 R388	I382-G387 WeakPolarHBondContact O-CA 3.35Å; I382-R388 HydrophobicContact CB-CB 4.22Å; I382-R388 PolarHBondContact N-O 3.02Å; I382-R388 PolarHBondContact O-N 2.73Å; I382-R388 VanDerWaalsContact O-N 3.16Å
383	P	96.8	Very high	94.5	Very high	78 Å²	78	42.7 Å²	42.7	51%	0.506	22%	0.221	S	C	.	.			trans	-95.6	-180	-166.8	38.9	-36.1	0	0	0	113.1	L381 L386 V450	L381-P383 HydrophobicContact CD2-CB 4.04Å; L381-P383 HydrophobicContact CG-CB 4.21Å; L381-P383 WeakPolarHBondContact O-CD 3.29Å; P383-L386 CarbonylContact C-O 3.42Å; P383-V450 WeakPolarHBondContact CA-O 3.44Å; P383-V450 WeakPolarHBondContact CB-O 3.46Å
384	G	96.4	Very high	93.8	Very high	11 Å²	11	47 Å²	47	11%	0.113	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	113.6	-139.2	172	0	0	0	0	0	112.4	L386 H449 V450	G384-L386 PolarHBondContact N-O 2.85Å; G384-L386 PolarHBondContact O-N 2.8Å; G384-H449 CarbonylContact O-C 3.57Å; G384-H449 VanDerWaalsContact O-CA 3.3Å; G384-H449 WeakPolarHBondContact O-CA 3.24Å; G384-V450 PolarHBondContact N-O 3.22Å; G384-V450 PolarHBondContact O-N 2.8Å
385	S	97.5	Very high	93.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.007	24%	0.241	C	C	.	.	S	Bend	trans	-68.8	1	176.1	55.8	0	0	0	0	115.3	H467 G468 Y469	S385-H467 VanDerWaalsContact CB-O 3.32Å; S385-H467 WeakPolarHBondContact CB-O 3.41Å; S385-H467 PolarHBondContact OG-O 3.33Å; S385-G468 WeakPolarHBondContact OG-CA 3.05Å; S385-Y469 VanDerWaalsContact CB-CZ 3.5Å; S385-Y469 WeakPolarHBondContact O-CD1 3.43Å
386	L	98.5	Very high	92.9	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	23%	0.234	C	C	.	.	S	Bend	trans	-149.1	163.8	166.1	67.6	124.6	0	0	0	108.4	Y202 P203 P383 G384 R388	Y202-L386 VanDerWaalsContact OH-CB 3.31Å; Y202-L386 WeakPolarHBondContact OH-CB 3.41Å; P203-L386 HydrophobicContact CB-CD2 3.74Å; P383-L386 CarbonylContact C-O 3.42Å; G384-L386 PolarHBondContact N-O 2.85Å; G384-L386 PolarHBondContact O-N 2.8Å; L386-R388 HydrophobicContact CD1-CG 3.81Å
387	G	98.5	Very high	92.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.2	170.6	0	0	0	0	0	111.8	I382 H441 L442	I382-G387 WeakPolarHBondContact O-CA 3.35Å; G387-H441 CarbonylContact O-C 3.57Å; G387-H441 WeakPolarHBondContact O-CA 3.24Å; G387-L442 PolarHBondContact N-O 2.89Å; G387-L442 PolarHBondContact O-N 3.17Å
388	R	98.6	Very high	91.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128	165	-56.6	-162.9	-56.8	-96.6	-4.6	110	I225 S228 L381 I382 L386 Y431 E438 I440 H441	I225-R388 VanDerWaalsContact CD1-CZ 3.46Å; I225-R388 VanDerWaalsContact CD1-NH2 3.3Å; S228-R388 PolarHBondContact O-NH2 3.45Å; L381-R388 CarbonylContact C-O 3.39Å; L381-R388 WeakPolarHBondContact CA-O 3.48Å; I382-R388 HydrophobicContact CB-CB 4.22Å; I382-R388 PolarHBondContact N-O 3.02Å; I382-R388 PolarHBondContact O-N 2.73Å; I382-R388 VanDerWaalsContact O-N 3.16Å; L386-R388 HydrophobicContact CD1-CG 3.81Å; R388-Y431 PolarHBondContact NH1-OH 3.45Å; R388-E438 HydrophobicContact CB-CB 4.18Å; R388-E438 HydrophobicContact CB-CG 4.35Å; R388-E438 VanDerWaalsContact CB-OE2 3.28Å; R388-E438 WeakPolarHBondContact CB-OE2 3.49Å; R388-E438 VanDerWaalsContact CD-OE2 3.31Å; R388-E438 WeakPolarHBondContact CD-OE2 3.36Å; R388-E438 IonicContact CZ-OE2 2.93Å; R388-E438 IonicContact NE-OE2 2.94Å; R388-E438 PolarHBondContact NE-OE2 3.49Å; R388-I440 WeakPolarHBondContact CA-O 3.29Å; R388-H441 WeakPolarHBondContact CG-ND1 3.3Å
389	I	98	Very high	91.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	-173.2	-55.8	174.8	0	0	0	109.6	L369 I379 I380 L381 Y399 L408 E438 I440 L442	L369-I389 HydrophobicContact CD1-CD1 3.7Å; L369-I389 HydrophobicContact CD1-CG1 4.31Å; I379-I389 HydrophobicContact CB-CG2 3.91Å; I379-I389 HydrophobicContact CD1-CG2 3.99Å; I379-I389 HydrophobicContact CG2-CG2 4.02Å; I380-I389 WeakPolarHBondContact O-CA 3.23Å; L381-I389 HydrophobicContact CD1-CG1 3.8Å; I389-Y399 PolarHBondContact O-OH 3.46Å; I389-L408 HydrophobicContact CD1-CD1 3.9Å; I389-E438 WeakPolarHBondContact O-CB 3.43Å; I389-I440 HydrophobicContact CB-CB 4.02Å; I389-I440 HydrophobicContact CB-CD1 4.29Å; I389-I440 HydrophobicContact CB-CG2 4.16Å; I389-I440 HydrophobicContact CD1-CG2 4.11Å; I389-I440 HydrophobicContact CG1-CG2 4.38Å; I389-I440 HydrophobicContact CG2-CD1 4.32Å; I389-I440 PolarHBondContact N-O 3.23Å; I389-L442 HydrophobicContact CD1-CD1 4.15Å; I389-L442 HydrophobicContact CD1-CD2 4.24Å; I389-L442 HydrophobicContact CD1-CG 4.36Å
390	R	95.4	Very high	91.6	Very high	48 Å²	48	56.5 Å²	56.5	18%	0.181	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.2	164.3	63	178.4	-169.9	-105.8	8.2	111.3	Y230 I379 I380 E438	Y230-R390 VanDerWaalsContact CG-CZ 3.46Å; I379-R390 WeakPolarHBondContact CA-O 3.44Å; I380-R390 HydrophobicContact CB-CG 3.97Å; I380-R390 HydrophobicContact CG2-CG 4.48Å; I380-R390 PolarHBondContact N-O 3.16Å; I380-R390 PolarHBondContact O-N 3.34Å; R390-E438 HydrophobicContact CB-CG 3.74Å; R390-E438 HydrophobicContact CG-CG 4.2Å; R390-E438 IonicContact NH1-OE1 3.29Å; R390-E438 PolarHBondContact NH1-OE1 3.11Å
391	S	94.2	Very high	91.6	Very high	11 Å²	11	55.5 Å²	55.5	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	140.1	166.9	-175.6	0	0	0	0	110.8	Y393	S391-Y393 WeakPolarHBondContact CB-O 3.24Å; S391-Y393 VanDerWaalsContact OG-C 3.31Å; S391-Y393 PolarHBondContact OG-N 2.82Å; S391-Y393 VanDerWaalsContact OG-N 3.09Å; S391-Y393 PolarHBondContact OG-O 2.9Å
392	R	92.1	Very high	91.4	Very high	99 Å²	99	61.6 Å²	61.6	37%	0.374	32%	0.321	S	S	.	.	S	Bend	trans	-65.2	-32.1	166.7	179.4	175.8	-60.6	-77.1	-10.5	111.8	D377 D378 I379 I380	D377-R392 PolarHBondContact O-NE 2.75Å; D378-R392 VanDerWaalsContact O-CB 3.29Å; D378-R392 WeakPolarHBondContact O-CB 3.3Å; D378-R392 PolarHBondContact O-N 3.36Å; I379-R392 PolarHBondContact O-NH2 2.77Å; I380-R392 HydrophobicContact CD1-CB 4.48Å; I380-R392 HydrophobicContact CG1-CB 4.18Å; I380-R392 HydrophobicContact CG1-CG 4.48Å
393	Y	88.9	Confident	91.3	Very high	132 Å²	132	62.2 Å²	62.2	52%	0.518	33%	0.33	S	S	.	.	S	Bend	trans	-113.4	99.8	-178.4	-55.3	-70.1	0	0	0	108	S391 S395 N396	S391-Y393 WeakPolarHBondContact CB-O 3.24Å; S391-Y393 VanDerWaalsContact OG-C 3.31Å; S391-Y393 PolarHBondContact OG-N 2.82Å; S391-Y393 VanDerWaalsContact OG-N 3.09Å; S391-Y393 PolarHBondContact OG-O 2.9Å; Y393-S395 PolarHBondContact O-N 3.31Å; Y393-N396 VanDerWaalsContact O-CB 3.23Å; Y393-N396 WeakPolarHBondContact O-CB 3.4Å; Y393-N396 PolarHBondContact O-N 3.16Å
394	P	77.6	Confident	91.2	Very high	111 Å²	111	59.4 Å²	59.4	72%	0.721	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.1	-171.8	-28.7	35.7	0	0	0	114.6
395	S	76.1	Confident	91.3	Very high	112 Å²	112	59.8 Å²	59.8	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	13.6	178.4	51.2	0	0	0	0	114.4	Y393 P397	Y393-S395 PolarHBondContact O-N 3.31Å; S395-P397 WeakPolarHBondContact O-CD 3.47Å
396	N	81.6	Confident	91.2	Very high	38 Å²	38	62.3 Å²	62.3	20%	0.203	33%	0.333	C	S	.	.			trans	-71.4	108.9	-179.6	-178.3	6.4	0	0	0	111.2	Y393 K398 Y399	Y393-N396 VanDerWaalsContact O-CB 3.23Å; Y393-N396 WeakPolarHBondContact O-CB 3.4Å; Y393-N396 PolarHBondContact O-N 3.16Å; N396-K398 PolarHBondContact O-N 2.89Å; N396-K398 VanDerWaalsContact O-N 3.16Å; N396-K398 WeakPolarHBondContact OD1-CB 3.39Å; N396-K398 PolarHBondContact OD1-N 2.9Å; N396-Y399 PolarHBondContact O-N 2.86Å
397	P	78.8	Confident	91	Very high	129 Å²	129	65.9 Å²	65.9	84%	0.838	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.3	-178.7	32	-36.3	0	0	0	112.7	S395	S395-P397 WeakPolarHBondContact O-CD 3.47Å
398	K	83.3	Confident	90.9	Very high	186 Å²	186	65.9 Å²	65.9	81%	0.809	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.1	177.7	-57.2	-176.9	178.9	-179.9	0	113.2	N396 D400	N396-K398 PolarHBondContact O-N 2.89Å; N396-K398 VanDerWaalsContact O-N 3.16Å; N396-K398 WeakPolarHBondContact OD1-CB 3.39Å; N396-K398 PolarHBondContact OD1-N 2.9Å; K398-D400 PolarHBondContact O-N 3.22Å
399	Y	89.2	Confident	90.9	Very high	49 Å²	49	66.9 Å²	66.9	19%	0.192	36%	0.358	C	S	.	.			trans	-83	104.7	179.3	-178.7	-103.7	0	0	0	110.2	I379 I389 N396 P401 V404 I440	I379-Y399 HydrophobicContact CG2-CE2 4.01Å; I389-Y399 PolarHBondContact O-OH 3.46Å; N396-Y399 PolarHBondContact O-N 2.86Å; Y399-P401 HydrophobicContact CD1-CG 4.29Å; Y399-P401 HydrophobicContact CE1-CG 3.84Å; Y399-V404 HydrophobicContact CE2-CG2 4.13Å; Y399-I440 WeakPolarHBondContact OH-CD1 3.41Å
400	D	92.3	Very high	90.7	Very high	75 Å²	75	69.1 Å²	69.1	40%	0.401	37%	0.374	S	S	.	.			trans	-108.7	111.1	172.1	175	17.3	0	0	0	110.7	K398 K402 A403 V404	K398-D400 PolarHBondContact O-N 3.22Å; D400-K402 PolarHBondContact O-N 2.85Å; D400-K402 WeakPolarHBondContact OD1-CB 3.43Å; D400-K402 PolarHBondContact OD1-N 3.26Å; D400-A403 HydrophobicContact CB-CB 3.96Å; D400-A403 PolarHBondContact O-N 3.39Å; D400-A403 WeakPolarHBondContact OD2-CB 3.25Å; D400-A403 PolarHBondContact OD2-N 2.89Å; D400-V404 WeakPolarHBondContact O-CG2 3.28Å; D400-V404 PolarHBondContact O-N 2.92Å; D400-V404 VanDerWaalsContact O-N 3.08Å
401	P	94.3	Very high	90.7	Very high	25 Å²	25	72.5 Å²	72.5	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-54.7	-36.2	175.3	-27.5	35.2	0	0	0	114.6	Y399 V404 V405 L421 D439 I440	Y399-P401 HydrophobicContact CD1-CG 4.29Å; Y399-P401 HydrophobicContact CE1-CG 3.84Å; P401-V404 PolarHBondContact O-N 3.3Å; P401-V405 WeakPolarHBondContact O-CG2 3.49Å; P401-V405 PolarHBondContact O-N 3Å; P401-L421 HydrophobicContact CB-CD2 3.93Å; P401-D439 HydrophobicContact CB-CB 4.42Å; P401-D439 HydrophobicContact CG-CB 4.45Å; P401-I440 HydrophobicContact CB-CD1 4.06Å; P401-I440 HydrophobicContact CB-CG1 3.78Å
402	K	95.2	Very high	90.7	Very high	146 Å²	146	75.7 Å²	75.7	64%	0.635	40%	0.402	S	S	*	.	H	α-helix	trans	-67	-46	-179.3	-66.3	-177.5	176.6	179.8	0	110.7	D400 V404 V405 A406 L421	D400-K402 PolarHBondContact O-N 2.85Å; D400-K402 WeakPolarHBondContact OD1-CB 3.43Å; D400-K402 PolarHBondContact OD1-N 3.26Å; K402-V404 VanDerWaalsContact C-N 3.35Å; K402-V404 PolarHBondContact O-N 3.3Å; K402-V405 PolarHBondContact O-N 2.84Å; K402-A406 WeakPolarHBondContact O-CB 3.38Å; K402-A406 PolarHBondContact O-N 3.23Å; K402-L421 HydrophobicContact CG-CD1 4.04Å
403	A	94.3	Very high	90.5	Very high	42 Å²	42	76.3 Å²	76.3	35%	0.347	43%	0.429	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.2	0	0	0	0	0	112.4	D400 A406 N407	D400-A403 HydrophobicContact CB-CB 3.96Å; D400-A403 PolarHBondContact O-N 3.39Å; D400-A403 WeakPolarHBondContact OD2-CB 3.25Å; D400-A403 PolarHBondContact OD2-N 2.89Å; A403-A406 PolarHBondContact O-N 2.73Å; A403-N407 WeakPolarHBondContact O-CB 3.5Å; A403-N407 VanDerWaalsContact O-CG 3.23Å; A403-N407 PolarHBondContact O-N 3.17Å; A403-N407 PolarHBondContact O-ND2 2.8Å
404	V	95.3	Very high	90.5	Very high	18 Å²	18	77.4 Å²	77.4	11%	0.109	44%	0.438	C	S	.	.	H	α-helix	trans	-64.4	-45.2	177	174.7	0	0	0	0	111.2	L373 Y399 D400 P401 K402 A406 N407 L408 I440	L373-V404 HydrophobicContact CD1-CG1 4.41Å; Y399-V404 HydrophobicContact CE2-CG2 4.13Å; D400-V404 WeakPolarHBondContact O-CG2 3.28Å; D400-V404 PolarHBondContact O-N 2.92Å; D400-V404 VanDerWaalsContact O-N 3.08Å; P401-V404 PolarHBondContact O-N 3.3Å; K402-V404 VanDerWaalsContact C-N 3.35Å; K402-V404 PolarHBondContact O-N 3.3Å; V404-A406 PolarHBondContact O-N 2.64Å; V404-N407 PolarHBondContact O-N 3.43Å; V404-L408 HydrophobicContact CG1-CD1 4.09Å; V404-L408 WeakPolarHBondContact O-CG 3.03Å; V404-L408 PolarHBondContact O-N 3.4Å; V404-L408 VanDerWaalsContact O-N 3.12Å; V404-I440 HydrophobicContact CB-CD1 3.62Å; V404-I440 HydrophobicContact CG1-CD1 3.54Å; V404-I440 HydrophobicContact CG2-CD1 4.33Å
405	V	97.1	Very high	91.4	Very high	19 Å²	19	73.5 Å²	73.5	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-57.9	-50.1	174.5	168.1	0	0	0	0	110.3	P401 K402 N407 L408 T409 P419 L421 I440	P401-V405 WeakPolarHBondContact O-CG2 3.49Å; P401-V405 PolarHBondContact O-N 3Å; K402-V405 PolarHBondContact O-N 2.84Å; V405-N407 VanDerWaalsContact C-N 3.28Å; V405-N407 PolarHBondContact O-N 3.34Å; V405-L408 CarbonylContact O-C 3.55Å; V405-L408 WeakPolarHBondContact O-CA 3.38Å; V405-L408 PolarHBondContact O-N 2.57Å; V405-T409 PolarHBondContact O-N 3.38Å; V405-T409 PolarHBondContact O-OG1 2.96Å; V405-P419 HydrophobicContact CG1-CB 4.18Å; V405-P419 HydrophobicContact CG1-CG 4.34Å; V405-P419 HydrophobicContact CG2-CB 4.5Å; V405-L421 HydrophobicContact CG2-CD2 3.92Å; V405-L421 HydrophobicContact CG2-CG 4.2Å; V405-I440 HydrophobicContact CG2-CG1 4.3Å; V405-I440 HydrophobicContact CG2-CG2 3.9Å
406	A	94.9	Very high	92.5	Very high	55 Å²	55	69.5 Å²	69.5	46%	0.455	38%	0.379	S	S	.	.	H	α-helix	trans	-58.5	-37.2	178.5	0	0	0	0	0	113.3	K402 A403 V404 L408 T409 K411	K402-A406 WeakPolarHBondContact O-CB 3.38Å; K402-A406 PolarHBondContact O-N 3.23Å; A403-A406 PolarHBondContact O-N 2.73Å; V404-A406 PolarHBondContact O-N 2.64Å; A406-L408 VanDerWaalsContact C-N 3.26Å; A406-L408 PolarHBondContact O-N 3.25Å; A406-T409 PolarHBondContact O-N 2.91Å; A406-K411 WeakPolarHBondContact O-CE 3.14Å
407	N	95.1	Very high	93.2	Very high	83 Å²	83	68.1 Å²	68.1	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-71.3	-19.7	176.2	-73.7	-18.7	0	0	0	113.4	L373 A403 V404 V405 K411	L373-N407 HydrophobicContact CD2-CB 3.74Å; A403-N407 WeakPolarHBondContact O-CB 3.5Å; A403-N407 VanDerWaalsContact O-CG 3.23Å; A403-N407 PolarHBondContact O-N 3.17Å; A403-N407 PolarHBondContact O-ND2 2.8Å; V404-N407 PolarHBondContact O-N 3.43Å; V405-N407 VanDerWaalsContact C-N 3.28Å; V405-N407 PolarHBondContact O-N 3.34Å; N407-K411 VanDerWaalsContact C-CE 3.48Å; N407-K411 WeakPolarHBondContact O-CE 3.27Å; N407-K411 WeakPolarHBondContact O-CG 3.49Å
408	L	97.4	Very high	94.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-97.4	-12.6	176.2	-67	177.6	0	0	0	113.1	L369 Y372 L373 I389 V404 V405 A406 C410 Q415 F417 P419 L442	L369-L408 HydrophobicContact CD2-CD2 4.08Å; Y372-L408 HydrophobicContact CG-CD2 4.08Å; L373-L408 HydrophobicContact CD1-CD2 4.2Å; L373-L408 HydrophobicContact CD2-CD2 4.01Å; L373-L408 HydrophobicContact CD2-CG 4.26Å; L373-L408 HydrophobicContact CG-CD2 3.9Å; I389-L408 HydrophobicContact CD1-CD1 3.9Å; V404-L408 HydrophobicContact CG1-CD1 4.09Å; V404-L408 WeakPolarHBondContact O-CG 3.03Å; V404-L408 PolarHBondContact O-N 3.4Å; V404-L408 VanDerWaalsContact O-N 3.12Å; V405-L408 CarbonylContact O-C 3.55Å; V405-L408 WeakPolarHBondContact O-CA 3.38Å; V405-L408 PolarHBondContact O-N 2.57Å; A406-L408 VanDerWaalsContact C-N 3.26Å; A406-L408 PolarHBondContact O-N 3.25Å; L408-C410 PolarHBondContact O-N 3.21Å; L408-Q415 PolarHBondContact O-NE2 2.98Å; L408-Q415 PolarHBondContact O-OE1 3.38Å; L408-F417 HydrophobicContact CB-CE2 4.21Å; L408-F417 HydrophobicContact CD2-CE2 4.42Å; L408-F417 HydrophobicContact CD2-CZ 4.28Å; L408-P419 HydrophobicContact CB-CB 3.87Å; L408-P419 HydrophobicContact CB-CG 3.76Å; L408-P419 HydrophobicContact CD1-CB 4.41Å; L408-L442 HydrophobicContact CD1-CD2 3.91Å
409	T	97.2	Very high	94.9	Very high	26 Å²	26	56.7 Å²	56.7	16%	0.16	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	122.2	-174.7	-60.4	0	0	0	0	111.6	V405 A406 K411 P419 D805	V405-T409 PolarHBondContact O-N 3.38Å; V405-T409 PolarHBondContact O-OG1 2.96Å; A406-T409 PolarHBondContact O-N 2.91Å; T409-K411 VanDerWaalsContact C-N 3.33Å; T409-K411 PolarHBondContact O-N 3.27Å; T409-P419 WeakPolarHBondContact OG1-CG 3.4Å; T409-D805 HydrophobicContact CG2-CB 4.08Å; T409-D805 WeakPolarHBondContact CG2-O 3.49Å
410	C	95	Very high	95.3	Very high	48 Å²	48	54.5 Å²	54.5	32%	0.324	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	42.5	168.5	-54.3	0	0	0	0	114.6	L408 C808	L408-C410 PolarHBondContact O-N 3.21Å; C410-C808 WeakPolarHBondContact CA-SG 3.4Å; C410-C808 HydrophobicContact CB-CB 3.66Å; C410-C808 WeakPolarHBondContact CB-SG 3.27Å; C410-C808 WeakPolarHBondContact SG-CA 3.1Å; C410-C808 WeakPolarHBondContact SG-CB 3.4Å; C410-C808 CovalentContact SG-SG 2.04Å; C410-C808 PolarHBondContact SG-SG 2.89Å
411	K	95.6	Very high	95.6	Very high	118 Å²	118	51.6 Å²	51.6	51%	0.513	29%	0.286	S	S	.	.			trans	-86.4	-18.8	-177.7	-63	-55.1	-177.2	-173.6	0	114	Y372 A406 N407 T409	Y372-K411 HydrophobicContact CD1-CB 3.72Å; Y372-K411 HydrophobicContact CD1-CG 4.1Å; Y372-K411 HydrophobicContact CE1-CB 3.96Å; A406-K411 WeakPolarHBondContact O-CE 3.14Å; N407-K411 VanDerWaalsContact C-CE 3.48Å; N407-K411 WeakPolarHBondContact O-CE 3.27Å; N407-K411 WeakPolarHBondContact O-CG 3.49Å; T409-K411 VanDerWaalsContact C-N 3.33Å; T409-K411 PolarHBondContact O-N 3.27Å
412	K	93.8	Very high	95.8	Very high	78 Å²	78	51 Å²	51	34%	0.339	28%	0.28	S	S	.	.	S	Bend	trans	-130.2	148.8	174.3	-59.3	-174	-166.7	157.5	0	109.4	E367 Y372 E414 Q415	E367-K412 IonicContact OE1-NZ 3.69Å; E367-K412 IonicContact OE2-NZ 2.98Å; E367-K412 PolarHBondContact OE2-NZ 3.19Å; Y372-K412 HydrophobicContact CE1-CD 4.23Å; Y372-K412 HydrophobicContact CE1-CG 4.04Å; Y372-K412 VanDerWaalsContact CZ-CE 3.43Å; Y372-K412 VanDerWaalsContact OH-CD 3.31Å; Y372-K412 WeakPolarHBondContact OH-CD 3.5Å; Y372-K412 WeakPolarHBondContact OH-CE 3.43Å; Y372-K412 PolarHBondContact OH-NZ 3.36Å; K412-E414 VanDerWaalsContact C-N 3.34Å; K412-Q415 HydrophobicContact CB-CB 4.3Å
413	A	86.9	Confident	95.9	Very high	113 Å²	113	46.7 Å²	46.7	93%	0.934	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-44.4	175	0	0	0	0	0	111.4
414	E	90.3	Very high	96.1	Very high	154 Å²	154	47.1 Å²	47.1	72%	0.72	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	68.5	175.2	-62.2	-175.2	167.9	0	0	109.9	K412 H416	K412-E414 VanDerWaalsContact C-N 3.34Å; E414-H416 PolarHBondContact O-CD2 3.08Å
415	Q	96.4	Very high	96.3	Very high	29 Å²	29	46.6 Å²	46.6	14%	0.136	25%	0.254	C	S	.	.			trans	-93.6	117.8	176.5	-173.4	176.2	-50.8	0	0	110.5	Y372 L408 K412 F417	Y372-Q415 HydrophobicContact CE1-CG 4.28Å; L408-Q415 PolarHBondContact O-NE2 2.98Å; L408-Q415 PolarHBondContact O-OE1 3.38Å; K412-Q415 HydrophobicContact CB-CB 4.3Å; Q415-F417 VanDerWaalsContact C-N 3.33Å; Q415-F417 HydrophobicContact CG-CD1 4.21Å; Q415-F417 HydrophobicContact CG-CE1 4.06Å; Q415-F417 HydrophobicContact CG-CZ 4.37Å; Q415-F417 WeakPolarHBondContact CG-O 3.39Å; Q415-F417 PolarHBondContact NE2-O 3.36Å; Q415-F417 PolarHBondContact O-N 2.74Å
416	H	97.5	Very high	96.4	Very high	29 Å²	29	45.8 Å²	45.8	13%	0.134	25%	0.249	C	C	.	.			trans	-93.9	21.4	-172.5	-60.5	-71.1	0	0	0	115	E367 E414 E445 W448	E367-H416 HydrophobicContact CG-CB 4.18Å; E367-H416 IonicContact OE1-CD2 2.66Å; E414-H416 PolarHBondContact O-CD2 3.08Å; H416-E445 HydrophobicContact CB-CB 4.27Å; H416-E445 IonicContact CE1-OE2 2.78Å; H416-E445 IonicContact CG-OE2 2.84Å; H416-E445 IonicContact ND1-OE2 3.15Å; H416-E445 PolarHBondContact ND1-OE2 3.41Å; H416-E445 WeakPolarHBondContact O-CB 3.29Å; H416-E445 PolarHBondContact O-N 3.21Å; H416-W448 HydrophobicContact CB-CB 3.98Å; H416-W448 HydrophobicContact CB-CD2 3.39Å; H416-W448 HydrophobicContact CB-CE3 3.74Å; H416-W448 HydrophobicContact CB-CG 3.48Å; H416-W448 VanDerWaalsContact CB-CG 3.48Å; H416-W448 HydrophobicContact CB-CZ2 4.49Å; H416-W448 HydrophobicContact CB-CZ3 4.39Å; H416-W448 AromaticContact CD2-CD2 3.67Å; H416-W448 AromaticContact CD2-CE2 3.31Å; H416-W448 AromaticContact CD2-CE3 3.76Å; H416-W448 AromaticContact CD2-CH2 3.24Å; H416-W448 WeakPolarHBondContact CD2-CH2 3.34Å; H416-W448 AromaticContact CD2-CZ2 3.13Å; H416-W448 WeakPolarHBondContact CD2-CZ2 3.38Å; H416-W448 AromaticContact CD2-CZ3 3.55Å; H416-W448 AromaticContact CD2-NE1 3.95Å; H416-W448 AromaticContact CE1-CE2 3.68Å; H416-W448 AromaticContact CE1-CZ2 3.6Å; H416-W448 AromaticContact CE1-NE1 3.65Å; H416-W448 AromaticContact CG-CD1 3.83Å; H416-W448 AromaticContact CG-CD2 3.4Å; H416-W448 VanDerWaalsContact CG-CD2 3.4Å; H416-W448 AromaticContact CG-CE2 3.23Å; H416-W448 AromaticContact CG-CE3 3.85Å; H416-W448 AromaticContact CG-CG 3.83Å; H416-W448 AromaticContact CG-CZ2 3.6Å; H416-W448 AromaticContact CG-NE1 3.46Å; H416-W448 AromaticContact ND1-CD1 3.81Å; H416-W448 AromaticContact ND1-CE2 3.49Å; H416-W448 AromaticContact ND1-CZ2 3.88Å; H416-W448 AromaticContact ND1-NE1 3.28Å; H416-W448 PolarHBondContact ND1-NE1 3.48Å; H416-W448 AromaticContact NE2-CE2 3.58Å; H416-W448 AromaticContact NE2-CH2 3.53Å; H416-W448 AromaticContact NE2-CZ2 3.11Å; H416-W448 WeakPolarHBondContact NE2-CZ2 3.45Å
417	F	98.1	Very high	96.6	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155	169.3	69.4	-88.1	0	0	0	110	E367 L369 Y372 L408 Q415 L442 L443 V444	E367-F417 HydrophobicContact CB-CD1 3.77Å; E367-F417 HydrophobicContact CB-CE1 3.9Å; E367-F417 HydrophobicContact CG-CD1 3.93Å; E367-F417 HydrophobicContact CG-CE1 4.2Å; L369-F417 HydrophobicContact CD2-CZ 4.17Å; Y372-F417 HydrophobicContact CD1-CZ 4.34Å; Y372-F417 HydrophobicContact CD2-CE1 4.46Å; Y372-F417 HydrophobicContact CD2-CZ 4.33Å; Y372-F417 HydrophobicContact CE1-CE1 4.21Å; Y372-F417 HydrophobicContact CE1-CZ 4.07Å; Y372-F417 AromaticContact CE2-CE1 3.8Å; Y372-F417 HydrophobicContact CE2-CE1 3.8Å; Y372-F417 HydrophobicContact CE2-CZ 4.08Å; Y372-F417 HydrophobicContact CG-CZ 4.47Å; Y372-F417 AromaticContact CZ-CE1 3.66Å; Y372-F417 AromaticContact CZ-CZ 3.94Å; L408-F417 HydrophobicContact CB-CE2 4.21Å; L408-F417 HydrophobicContact CD2-CE2 4.42Å; L408-F417 HydrophobicContact CD2-CZ 4.28Å; Q415-F417 VanDerWaalsContact C-N 3.33Å; Q415-F417 HydrophobicContact CG-CD1 4.21Å; Q415-F417 HydrophobicContact CG-CE1 4.06Å; Q415-F417 HydrophobicContact CG-CZ 4.37Å; Q415-F417 WeakPolarHBondContact CG-O 3.39Å; Q415-F417 PolarHBondContact NE2-O 3.36Å; Q415-F417 PolarHBondContact O-N 2.74Å; F417-L442 HydrophobicContact CD2-CB 4.19Å; F417-L442 HydrophobicContact CD2-CD1 4.12Å; F417-L442 HydrophobicContact CD2-CD2 4.09Å; F417-L442 HydrophobicContact CD2-CG 4.37Å; F417-L442 HydrophobicContact CE2-CD1 4.31Å; F417-L442 HydrophobicContact CE2-CD2 4.22Å; F417-L443 CarbonylContact C-O 3.54Å; F417-L443 WeakPolarHBondContact CA-O 3.48Å; F417-V444 HydrophobicContact CB-CG2 4.15Å
418	K	98.2	Very high	96.7	Very high	66 Å²	66	40.4 Å²	40.4	29%	0.287	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.8	177.2	-164.2	175.8	-65.3	-115	0	110.4	Y420 L442 L443 E806	K418-Y420 HydrophobicContact CB-CD2 4.42Å; K418-Y420 HydrophobicContact CB-CE2 3.81Å; K418-Y420 HydrophobicContact CD-CE2 3.64Å; K418-Y420 WeakPolarHBondContact CD-OH 3.31Å; K418-Y420 HydrophobicContact CG-CD2 4.35Å; K418-Y420 HydrophobicContact CG-CE2 3.65Å; K418-Y420 WeakPolarHBondContact O-CD2 3.43Å; K418-L442 WeakPolarHBondContact O-CA 3.28Å; K418-L443 PolarHBondContact N-O 2.77Å; K418-L443 PolarHBondContact O-N 3.13Å; K418-E806 HydrophobicContact CD-CG 3.96Å; K418-E806 WeakPolarHBondContact CD-O 3.21Å; K418-E806 PolarHBondContact NZ-O 2.84Å
419	P	98.4	Very high	96.8	Very high	10 Å²	10	40.5 Å²	40.5	7%	0.065	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.8	177.3	34.1	-36.3	0	0	0	110.9	V405 L408 T409 H441 L442	V405-P419 HydrophobicContact CG1-CB 4.18Å; V405-P419 HydrophobicContact CG1-CG 4.34Å; V405-P419 HydrophobicContact CG2-CB 4.5Å; L408-P419 HydrophobicContact CB-CB 3.87Å; L408-P419 HydrophobicContact CB-CG 3.76Å; L408-P419 HydrophobicContact CD1-CB 4.41Å; T409-P419 WeakPolarHBondContact OG1-CG 3.4Å; P419-H441 CarbonylContact C-O 3.59Å; P419-L442 HydrophobicContact CB-CD2 3.76Å
420	Y	98.6	Very high	96.9	Very high	3 Å²	3	40 Å²	40	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.1	176.1	-73.2	-88.8	0	0	0	109.5	K418 H424 L425 H441 L443 E806	K418-Y420 HydrophobicContact CB-CD2 4.42Å; K418-Y420 HydrophobicContact CB-CE2 3.81Å; K418-Y420 HydrophobicContact CD-CE2 3.64Å; K418-Y420 WeakPolarHBondContact CD-OH 3.31Å; K418-Y420 HydrophobicContact CG-CD2 4.35Å; K418-Y420 HydrophobicContact CG-CE2 3.65Å; K418-Y420 WeakPolarHBondContact O-CD2 3.43Å; Y420-H424 HydrophobicContact CD1-CB 3.97Å; Y420-H424 WeakPolarHBondContact CD1-O 3.47Å; Y420-H424 WeakPolarHBondContact CE1-O 3.08Å; Y420-L425 HydrophobicContact CD1-CD2 4.47Å; Y420-L425 HydrophobicContact CD2-CD2 3.82Å; Y420-L425 HydrophobicContact CE2-CD2 4.49Å; Y420-L425 HydrophobicContact CG-CD2 3.78Å; Y420-L425 HydrophobicContact CG-CG 4.42Å; Y420-H441 PolarHBondContact N-O 2.84Å; Y420-H441 PolarHBondContact O-N 3.01Å; Y420-L443 HydrophobicContact CD2-CB 4.17Å; Y420-L443 HydrophobicContact CE2-CB 4Å; Y420-L443 HydrophobicContact CE2-CD2 4.34Å; Y420-E806 HydrophobicContact CE1-CG 3.84Å; Y420-E806 WeakPolarHBondContact OH-CG 3.37Å; Y420-E806 PolarHBondContact OH-OE1 3.33Å
421	L	98.6	Very high	97.1	Very high	14 Å²	14	38 Å²	38	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.1	149.3	-62.6	172.5	0	0	0	107.5	P401 K402 V405 Q423 H424 D439	P401-L421 HydrophobicContact CB-CD2 3.93Å; K402-L421 HydrophobicContact CG-CD1 4.04Å; V405-L421 HydrophobicContact CG2-CD2 3.92Å; V405-L421 HydrophobicContact CG2-CG 4.2Å; L421-Q423 PolarHBondContact O-N 3.32Å; L421-H424 WeakPolarHBondContact O-CB 3.44Å; L421-H424 PolarHBondContact O-N 2.71Å; L421-D439 CarbonylContact C-O 3.51Å; L421-D439 VanDerWaalsContact CA-O 3.25Å; L421-D439 WeakPolarHBondContact CA-O 3.33Å
422	K	98.3	Very high	97.2	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.048	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-53.3	-35.5	-171.8	65.9	-176.1	177.4	-167	0	114	H424 L425 A432 I437 D439	K422-H424 PolarHBondContact O-N 3.15Å; K422-L425 HydrophobicContact CB-CD1 4.47Å; K422-L425 WeakPolarHBondContact O-CB 3.37Å; K422-L425 PolarHBondContact O-N 3.39Å; K422-A432 HydrophobicContact CB-CB 4.29Å; K422-A432 HydrophobicContact CG-CB 4.24Å; K422-I437 HydrophobicContact CB-CG2 4.33Å; K422-I437 HydrophobicContact CD-CG2 4.1Å; K422-I437 PolarHBondContact NZ-O 2.75Å; K422-D439 WeakPolarHBondContact CE-OD1 3.16Å; K422-D439 PolarHBondContact N-O 2.97Å; K422-D439 IonicContact NZ-OD1 2.73Å; K422-D439 PolarHBondContact NZ-OD1 2.8Å
423	Q	97.7	Very high	97.4	Very high	57 Å²	57	32.4 Å²	32.4	27%	0.266	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-68.6	-15.9	177.8	69.7	-84.3	19	0	0	114.6	L421 Y746	L421-Q423 PolarHBondContact O-N 3.32Å; Q423-Y746 HydrophobicContact CB-CD1 3.92Å; Q423-Y746 HydrophobicContact CB-CG 4Å
424	H	98.5	Very high	98	Very high	51 Å²	51	28.4 Å²	28.4	24%	0.236	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-95.6	-3.1	176.2	-58.2	159.3	0	0	0	113	Y420 L421 K422	Y420-H424 HydrophobicContact CD1-CB 3.97Å; Y420-H424 WeakPolarHBondContact CD1-O 3.47Å; Y420-H424 WeakPolarHBondContact CE1-O 3.08Å; L421-H424 WeakPolarHBondContact O-CB 3.44Å; L421-H424 PolarHBondContact O-N 2.71Å; K422-H424 PolarHBondContact O-N 3.15Å
425	L	98.8	Very high	98.4	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	12%	0.124	C	C	.	.	S	Bend	trans	-61.7	149.7	173	-73.6	170.2	0	0	0	110.3	Y420 K422 K427 L429 Y431 H441	Y420-L425 HydrophobicContact CD1-CD2 4.47Å; Y420-L425 HydrophobicContact CD2-CD2 3.82Å; Y420-L425 HydrophobicContact CE2-CD2 4.49Å; Y420-L425 HydrophobicContact CG-CD2 3.78Å; Y420-L425 HydrophobicContact CG-CG 4.42Å; K422-L425 HydrophobicContact CB-CD1 4.47Å; K422-L425 WeakPolarHBondContact O-CB 3.37Å; K422-L425 PolarHBondContact O-N 3.39Å; L425-K427 PolarHBondContact O-N 3.21Å; L425-L429 HydrophobicContact CB-CD1 4.41Å; L425-L429 HydrophobicContact CD2-CD1 4.43Å; L425-Y431 HydrophobicContact CD1-CD1 4.29Å; L425-H441 HydrophobicContact CD1-CB 4Å; L425-H441 HydrophobicContact CD2-CB 4.41Å
426	P	98.8	Very high	98.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	12%	0.12	C	C	.	.			trans	-52.2	126	174.3	-27	34.1	0	0	0	111.8	R428 L429 M824	P426-R428 HydrophobicContact CB-CG 4.04Å; P426-R428 PolarHBondContact O-N 3.02Å; P426-R428 VanDerWaalsContact O-N 3.13Å; P426-L429 HydrophobicContact CB-CD1 4.44Å; P426-L429 HydrophobicContact CB-CG 4.35Å; P426-L429 HydrophobicContact CG-CD1 4.4Å; P426-L429 VanDerWaalsContact O-CB 3.31Å; P426-L429 WeakPolarHBondContact O-CB 3.43Å; P426-L429 WeakPolarHBondContact O-CG 3.27Å; P426-L429 PolarHBondContact O-N 2.94Å; P426-M824 HydrophobicContact CG-CG 3.9Å; P426-M824 HydrophobicContact CG-SD 4.04Å
427	K	98.8	Very high	98.5	Very high	21 Å²	21	24.9 Å²	24.9	9%	0.091	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-59.6	-29.2	-172.8	-67.9	-66	177.7	175.8	0	114.1	L425 L429 H430 D743 H769 I797 L835	L425-K427 PolarHBondContact O-N 3.21Å; K427-L429 PolarHBondContact O-N 3.43Å; K427-H430 PolarHBondContact O-CD2 3.49Å; K427-H430 PolarHBondContact O-N 2.87Å; K427-D743 VanDerWaalsContact CE-OD2 3.3Å; K427-D743 WeakPolarHBondContact CE-OD2 3.31Å; K427-D743 IonicContact NZ-OD2 3.65Å; K427-D743 PolarHBondContact NZ-OD2 2.99Å; K427-H769 WeakPolarHBondContact CE-CE1 3.42Å; K427-H769 WeakPolarHBondContact CE-NE2 3.44Å; K427-I797 HydrophobicContact CB-CD1 4.11Å; K427-I797 HydrophobicContact CB-CG2 4.35Å; K427-I797 HydrophobicContact CG-CG2 3.96Å; K427-L835 HydrophobicContact CB-CD1 4.29Å; K427-L835 HydrophobicContact CG-CD1 4.32Å
428	R	98.8	Very high	98.5	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.015	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-56.2	-18.1	172.1	61.8	165.8	177.3	89.4	5.8	114.7	P426 D470 N471 M824 T826 M858	P426-R428 HydrophobicContact CB-CG 4.04Å; P426-R428 PolarHBondContact O-N 3.02Å; P426-R428 VanDerWaalsContact O-N 3.13Å; R428-D470 IonicContact CZ-OD1 3.3Å; R428-D470 IonicContact CZ-OD2 2.88Å; R428-D470 IonicContact NH1-OD1 3.05Å; R428-D470 PolarHBondContact NH1-OD1 3.1Å; R428-D470 IonicContact NH1-OD2 3.92Å; R428-D470 IonicContact NH2-OD1 3.45Å; R428-D470 PolarHBondContact NH2-OD1 2.9Å; R428-D470 IonicContact NH2-OD2 3.39Å; R428-D470 PolarHBondContact NH2-OD2 2.97Å; R428-N471 PolarHBondContact NH1-OD1 3.49Å; R428-M824 PolarHBondContact NE-O 3.34Å; R428-M824 VanDerWaalsContact NE-O 3.15Å; R428-M824 PolarHBondContact NH2-O 2.73Å; R428-T826 WeakPolarHBondContact CD-O 3.37Å; R428-T826 WeakPolarHBondContact CG-O 3.46Å; R428-M858 HydrophobicContact CB-SD 4.04Å; R428-M858 HydrophobicContact CG-SD 4.48Å
429	L	98.9	Very high	98.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-79	-23.6	178.3	-61.8	179.7	0	0	0	112.7	Y202 L425 P426 K427 Y431 L443 N471	Y202-L429 HydrophobicContact CD1-CB 4.45Å; Y202-L429 HydrophobicContact CD1-CD1 4.36Å; Y202-L429 HydrophobicContact CD1-CD2 4.48Å; Y202-L429 HydrophobicContact CD2-CD2 4.31Å; Y202-L429 HydrophobicContact CG-CD2 3.93Å; L425-L429 HydrophobicContact CB-CD1 4.41Å; L425-L429 HydrophobicContact CD2-CD1 4.43Å; P426-L429 HydrophobicContact CB-CD1 4.44Å; P426-L429 HydrophobicContact CB-CG 4.35Å; P426-L429 HydrophobicContact CG-CD1 4.4Å; P426-L429 VanDerWaalsContact O-CB 3.31Å; P426-L429 WeakPolarHBondContact O-CB 3.43Å; P426-L429 WeakPolarHBondContact O-CG 3.27Å; P426-L429 PolarHBondContact O-N 2.94Å; K427-L429 PolarHBondContact O-N 3.43Å; L429-Y431 VanDerWaalsContact C-N 3.29Å; L429-Y431 PolarHBondContact O-N 3.24Å; L429-L443 HydrophobicContact CD1-CD1 4.41Å; L429-N471 WeakPolarHBondContact CD2-OD1 3.39Å
430	H	98.9	Very high	98.5	Very high	15 Å²	15	25.3 Å²	25.3	7%	0.069	12%	0.119	C	C	.	.			trans	44.9	54.9	-176.6	-66.3	-87.7	0	0	0	111.6	Y218 E220 K427 D831	Y218-H430 HydrophobicContact CD1-CB 3.81Å; Y218-H430 HydrophobicContact CD2-CB 3.52Å; Y218-H430 AromaticContact CD2-CG 3.59Å; Y218-H430 AromaticContact CD2-ND1 3.9Å; Y218-H430 HydrophobicContact CE1-CB 4.09Å; Y218-H430 AromaticContact CE1-CD2 3.88Å; Y218-H430 HydrophobicContact CE2-CB 3.83Å; Y218-H430 AromaticContact CE2-CD2 3.51Å; Y218-H430 AromaticContact CE2-CE1 3.89Å; Y218-H430 AromaticContact CE2-CG 3.38Å; Y218-H430 AromaticContact CE2-ND1 3.64Å; Y218-H430 AromaticContact CE2-NE2 3.82Å; Y218-H430 HydrophobicContact CG-CB 3.53Å; Y218-H430 AromaticContact CZ-CD2 3.35Å; Y218-H430 AromaticContact CZ-CG 3.68Å; Y218-H430 AromaticContact CZ-NE2 3.84Å; E220-H430 VanDerWaalsContact CG-O 3.32Å; E220-H430 WeakPolarHBondContact CG-O 3.48Å; E220-H430 WeakPolarHBondContact OE1-CB 3.34Å; E220-H430 VanDerWaalsContact OE2-C 3.24Å; K427-H430 PolarHBondContact O-CD2 3.49Å; K427-H430 PolarHBondContact O-N 2.87Å; H430-D831 IonicContact CD2-OD1 2.91Å; H430-D831 IonicContact CE1-OD1 3.37Å; H430-D831 IonicContact NE2-OD1 2.87Å; H430-D831 PolarHBondContact NE2-OD1 3.44Å
431	Y	98.9	Very high	98.5	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.024	12%	0.119	C	C	.	.			trans	-137.7	58.5	-169.8	-160.9	-103.6	0	0	0	112.7	Y202 P203 P219 E220 I225 R388 L425 L429 I437 H441	Y202-Y431 AromaticContact CD1-CD1 3.93Å; Y202-Y431 HydrophobicContact CD1-CD1 3.93Å; Y202-Y431 HydrophobicContact CD1-CD2 4.19Å; Y202-Y431 HydrophobicContact CD1-CE1 4.45Å; Y202-Y431 AromaticContact CD1-CG 3.77Å; Y202-Y431 HydrophobicContact CD1-CG 3.77Å; Y202-Y431 AromaticContact CE1-CD1 3.82Å; Y202-Y431 HydrophobicContact CE1-CD1 3.82Å; Y202-Y431 HydrophobicContact CE1-CE1 4.09Å; Y202-Y431 HydrophobicContact CE1-CG 4.16Å; Y202-Y431 WeakPolarHBondContact O-CD2 3.42Å; P203-Y431 HydrophobicContact CG-CE2 4.37Å; P219-Y431 HydrophobicContact CB-CD2 4.48Å; P219-Y431 HydrophobicContact CB-CE2 4.4Å; E220-Y431 PolarHBondContact OE2-N 3.25Å; I225-Y431 HydrophobicContact CB-CE2 3.91Å; I225-Y431 HydrophobicContact CG2-CE2 4.45Å; I225-Y431 WeakPolarHBondContact O-CE2 3.39Å; I225-Y431 PolarHBondContact O-OH 2.97Å; R388-Y431 PolarHBondContact NH1-OH 3.45Å; L425-Y431 HydrophobicContact CD1-CD1 4.29Å; L429-Y431 VanDerWaalsContact C-N 3.29Å; L429-Y431 PolarHBondContact O-N 3.24Å; Y431-I437 HydrophobicContact CD1-CD1 4.14Å; Y431-I437 HydrophobicContact CD1-CG2 4.08Å; Y431-I437 HydrophobicContact CD2-CD1 3.8Å; Y431-I437 HydrophobicContact CE1-CD1 4.21Å; Y431-I437 HydrophobicContact CE1-CG1 4.16Å; Y431-I437 HydrophobicContact CE1-CG2 3.84Å; Y431-I437 HydrophobicContact CE2-CD1 3.86Å; Y431-I437 HydrophobicContact CE2-CG1 4.15Å; Y431-I437 HydrophobicContact CG-CD1 3.95Å; Y431-H441 AromaticContact CE1-CE1 3.57Å; Y431-H441 AromaticContact CE1-ND1 3.71Å
432	A	98.7	Very high	98.5	Very high	7 Å²	7	24.5 Å²	24.5	6%	0.058	12%	0.115	C	C	.	.			trans	-141.6	-39.2	176.6	0	0	0	0	0	113.7	E220 K422 N434 Y746	E220-A432 PolarHBondContact OE2-N 3.4Å; K422-A432 HydrophobicContact CB-CB 4.29Å; K422-A432 HydrophobicContact CG-CB 4.24Å; A432-N434 PolarHBondContact O-N 3.16Å; A432-Y746 HydrophobicContact CB-CD2 3.81Å; A432-Y746 HydrophobicContact CB-CG 4.28Å
433	N	98.4	Very high	98.5	Very high	72 Å²	72	24.6 Å²	24.6	39%	0.385	12%	0.116	S	C	.	.	S	Bend	trans	-82.9	56.9	-170.3	-171.4	22.2	0	0	0	113.5	E220 D747	E220-N433 PolarHBondContact OE2-N 3.39Å; N433-D747 HydrophobicContact CB-CB 4.24Å; N433-D747 WeakPolarHBondContact ND2-CB 3.41Å
434	N	98.7	Very high	98.6	Very high	29 Å²	29	22.2 Å²	22.2	16%	0.155	11%	0.105	C	C	.	.	S	Bend	trans	-149.8	136.1	167.5	-161.5	-70.7	0	0	0	110.1	E220 I225 A432 R436 I437	E220-N434 HydrophobicContact CB-CB 4.22Å; E220-N434 PolarHBondContact O-ND2 3.12Å; I225-N434 HydrophobicContact CG2-CB 4.2Å; A432-N434 PolarHBondContact O-N 3.16Å; N434-R436 PolarHBondContact O-N 2.87Å; N434-R436 VanDerWaalsContact O-N 3.09Å; N434-R436 WeakPolarHBondContact OD1-CB 3.49Å; N434-R436 VanDerWaalsContact OD1-CG 3.25Å; N434-R436 WeakPolarHBondContact OD1-CG 3.34Å; N434-R436 PolarHBondContact OD1-N 3.27Å; N434-I437 HydrophobicContact CB-CD1 3.97Å; N434-I437 HydrophobicContact CB-CG1 4.11Å; N434-I437 WeakPolarHBondContact O-CB 3.41Å; N434-I437 PolarHBondContact O-N 2.99Å
435	R	97.9	Very high	98.6	Very high	120 Å²	120	24.3 Å²	24.3	45%	0.453	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.3	176.5	69.3	-177.5	-175.8	-151.4	-1.4	114.1	D231 P232 T233 F234 I437	D231-R435 IonicContact OD1-CZ 3.34Å; D231-R435 IonicContact OD1-NE 3.54Å; D231-R435 PolarHBondContact OD1-NE 3.35Å; D231-R435 IonicContact OD1-NH2 3.57Å; D231-R435 PolarHBondContact OD1-NH2 2.89Å; D231-R435 IonicContact OD2-CZ 3.66Å; D231-R435 IonicContact OD2-NE 2.74Å; D231-R435 PolarHBondContact OD2-NE 2.77Å; D231-R435 IonicContact OD2-NH2 2.63Å; D231-R435 PolarHBondContact OD2-NH2 3Å; P232-R435 WeakPolarHBondContact CD-O 3.07Å; P232-R435 HydrophobicContact CG-CB 4.43Å; T233-R435 WeakPolarHBondContact OG1-CD 3.46Å; T233-R435 PolarHBondContact OG1-NE 3.21Å; T233-R435 PolarHBondContact OG1-NH1 3.09Å; F234-R435 VanDerWaalsContact CE1-NH2 3.29Å; R435-I437 VanDerWaalsContact C-N 3.32Å
436	R	98.4	Very high	98.5	Very high	16 Å²	16	27.8 Å²	27.8	6%	0.06	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.3	176.1	-59.7	169.4	-176.2	169.7	4.2	112.9	G223 I225 Y230 D231 F234 R249 W250 N434	G223-R436 VanDerWaalsContact C-NH1 3.27Å; G223-R436 WeakPolarHBondContact O-CD 3.45Å; G223-R436 PolarHBondContact O-NH1 3.12Å; I225-R436 HydrophobicContact CD1-CB 4.45Å; I225-R436 WeakPolarHBondContact CD1-O 3.22Å; I225-R436 HydrophobicContact CG1-CB 3.69Å; Y230-R436 WeakPolarHBondContact O-CA 3.18Å; D231-R436 HydrophobicContact CB-CG 3.91Å; D231-R436 IonicContact OD2-CZ 3.82Å; D231-R436 IonicContact OD2-NE 3.75Å; D231-R436 PolarHBondContact OD2-NE 2.85Å; D231-R436 IonicContact OD2-NH2 3.61Å; D231-R436 PolarHBondContact OD2-NH2 3.32Å; F234-R436 VanDerWaalsContact CE2-NH2 3.25Å; R249-R436 PolarHBondContact O-NH2 2.97Å; W250-R436 PolarHBondContact O-NH1 2.92Å; N434-R436 PolarHBondContact O-N 2.87Å; N434-R436 VanDerWaalsContact O-N 3.09Å; N434-R436 WeakPolarHBondContact OD1-CB 3.49Å; N434-R436 VanDerWaalsContact OD1-CG 3.25Å; N434-R436 WeakPolarHBondContact OD1-CG 3.34Å; N434-R436 PolarHBondContact OD1-N 3.27Å
437	I	98.7	Very high	98.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	-90.6	113.5	172.8	-60.3	169.9	0	0	0	107	E220 I225 K422 Y431 N434 R435	E220-I437 HydrophobicContact CB-CD1 4.04Å; I225-I437 HydrophobicContact CB-CD1 4.44Å; I225-I437 HydrophobicContact CB-CG1 3.92Å; I225-I437 HydrophobicContact CG1-CG1 4.07Å; I225-I437 HydrophobicContact CG2-CD1 3.98Å; I225-I437 HydrophobicContact CG2-CG1 3.79Å; K422-I437 HydrophobicContact CB-CG2 4.33Å; K422-I437 HydrophobicContact CD-CG2 4.1Å; K422-I437 PolarHBondContact NZ-O 2.75Å; Y431-I437 HydrophobicContact CD1-CD1 4.14Å; Y431-I437 HydrophobicContact CD1-CG2 4.08Å; Y431-I437 HydrophobicContact CD2-CD1 3.8Å; Y431-I437 HydrophobicContact CE1-CD1 4.21Å; Y431-I437 HydrophobicContact CE1-CG1 4.16Å; Y431-I437 HydrophobicContact CE1-CG2 3.84Å; Y431-I437 HydrophobicContact CE2-CD1 3.86Å; Y431-I437 HydrophobicContact CE2-CG1 4.15Å; Y431-I437 HydrophobicContact CG-CD1 3.95Å; N434-I437 HydrophobicContact CB-CD1 3.97Å; N434-I437 HydrophobicContact CB-CG1 4.11Å; N434-I437 WeakPolarHBondContact O-CB 3.41Å; N434-I437 PolarHBondContact O-N 2.99Å; R435-I437 VanDerWaalsContact C-N 3.32Å
438	E	98.3	Very high	98.3	Very high	15 Å²	15	32.5 Å²	32.5	7%	0.07	15%	0.147	C	C	.	.			trans	-58.1	148.3	175.7	-69.7	82.9	180	0	0	112	R388 I389 R390 I440	R388-E438 HydrophobicContact CB-CB 4.18Å; R388-E438 HydrophobicContact CB-CG 4.35Å; R388-E438 VanDerWaalsContact CB-OE2 3.28Å; R388-E438 WeakPolarHBondContact CB-OE2 3.49Å; R388-E438 VanDerWaalsContact CD-OE2 3.31Å; R388-E438 WeakPolarHBondContact CD-OE2 3.36Å; R388-E438 IonicContact CZ-OE2 2.93Å; R388-E438 IonicContact NE-OE2 2.94Å; R388-E438 PolarHBondContact NE-OE2 3.49Å; I389-E438 WeakPolarHBondContact O-CB 3.43Å; R390-E438 HydrophobicContact CB-CG 3.74Å; R390-E438 HydrophobicContact CG-CG 4.2Å; R390-E438 IonicContact NH1-OE1 3.29Å; R390-E438 PolarHBondContact NH1-OE1 3.11Å; E438-I440 PolarHBondContact O-N 3.12Å
439	D	97.6	Very high	98.3	Very high	79 Å²	79	33 Å²	33	42%	0.422	15%	0.149	S	C	.	.	S	Bend	trans	-64.1	-28.4	-176.4	-66.2	-25.9	0	0	0	113.2	P401 L421 K422	P401-D439 HydrophobicContact CB-CB 4.42Å; P401-D439 HydrophobicContact CG-CB 4.45Å; L421-D439 CarbonylContact C-O 3.51Å; L421-D439 VanDerWaalsContact CA-O 3.25Å; L421-D439 WeakPolarHBondContact CA-O 3.33Å; K422-D439 WeakPolarHBondContact CE-OD1 3.16Å; K422-D439 PolarHBondContact N-O 2.97Å; K422-D439 IonicContact NZ-OD1 2.73Å; K422-D439 PolarHBondContact NZ-OD1 2.8Å
440	I	98.6	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.3	176.9	-50.3	178.1	0	0	0	109.9	R388 I389 Y399 P401 V404 V405 E438 L442	R388-I440 WeakPolarHBondContact CA-O 3.29Å; I389-I440 HydrophobicContact CB-CB 4.02Å; I389-I440 HydrophobicContact CB-CD1 4.29Å; I389-I440 HydrophobicContact CB-CG2 4.16Å; I389-I440 HydrophobicContact CD1-CG2 4.11Å; I389-I440 HydrophobicContact CG1-CG2 4.38Å; I389-I440 HydrophobicContact CG2-CD1 4.32Å; I389-I440 PolarHBondContact N-O 3.23Å; Y399-I440 WeakPolarHBondContact OH-CD1 3.41Å; P401-I440 HydrophobicContact CB-CD1 4.06Å; P401-I440 HydrophobicContact CB-CG1 3.78Å; V404-I440 HydrophobicContact CB-CD1 3.62Å; V404-I440 HydrophobicContact CG1-CD1 3.54Å; V404-I440 HydrophobicContact CG2-CD1 4.33Å; V405-I440 HydrophobicContact CG2-CG1 4.3Å; V405-I440 HydrophobicContact CG2-CG2 3.9Å; E438-I440 PolarHBondContact O-N 3.12Å; I440-L442 HydrophobicContact CG2-CD2 4.37Å
441	H	98.8	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.9	176.8	-162.1	89	0	0	0	110.8	Y202 G387 R388 P419 Y420 L425 Y431	Y202-H441 AromaticContact CE1-CE1 3.72Å; Y202-H441 AromaticContact CE1-NE2 3.53Å; Y202-H441 AromaticContact CZ-NE2 3.53Å; Y202-H441 PolarHBondContact OH-CE1 3.14Å; Y202-H441 PolarHBondContact OH-NE2 3.21Å; G387-H441 CarbonylContact O-C 3.57Å; G387-H441 WeakPolarHBondContact O-CA 3.24Å; R388-H441 WeakPolarHBondContact CG-ND1 3.3Å; P419-H441 CarbonylContact C-O 3.59Å; Y420-H441 PolarHBondContact N-O 2.84Å; Y420-H441 PolarHBondContact O-N 3.01Å; L425-H441 HydrophobicContact CD1-CB 4Å; L425-H441 HydrophobicContact CD2-CB 4.41Å; Y431-H441 AromaticContact CE1-CE1 3.57Å; Y431-H441 AromaticContact CE1-ND1 3.71Å
442	L	98.8	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.5	173.2	-46.2	-178	0	0	0	108.1	L369 L381 G387 I389 L408 F417 K418 P419 I440 V444 V450	L369-L442 HydrophobicContact CD1-CD1 4.45Å; L369-L442 HydrophobicContact CD2-CD1 3.92Å; L381-L442 HydrophobicContact CD1-CD1 4.41Å; G387-L442 PolarHBondContact N-O 2.89Å; G387-L442 PolarHBondContact O-N 3.17Å; I389-L442 HydrophobicContact CD1-CD1 4.15Å; I389-L442 HydrophobicContact CD1-CD2 4.24Å; I389-L442 HydrophobicContact CD1-CG 4.36Å; L408-L442 HydrophobicContact CD1-CD2 3.91Å; F417-L442 HydrophobicContact CD2-CB 4.19Å; F417-L442 HydrophobicContact CD2-CD1 4.12Å; F417-L442 HydrophobicContact CD2-CD2 4.09Å; F417-L442 HydrophobicContact CD2-CG 4.37Å; F417-L442 HydrophobicContact CE2-CD1 4.31Å; F417-L442 HydrophobicContact CE2-CD2 4.22Å; K418-L442 WeakPolarHBondContact O-CA 3.28Å; P419-L442 HydrophobicContact CB-CD2 3.76Å; I440-L442 HydrophobicContact CG2-CD2 4.37Å; L442-V444 PolarHBondContact O-N 3.32Å; L442-V450 HydrophobicContact CD1-CB 4.47Å; L442-V450 HydrophobicContact CD1-CG1 4.12Å; L442-V450 HydrophobicContact CD1-CG2 3.77Å
443	L	98.6	Very high	97.6	Very high	13 Å²	13	40 Å²	40	7%	0.068	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108	171.5	-164.1	70.6	0	0	0	107.7	Y202 F417 K418 Y420 L429 D470 M824	Y202-L443 HydrophobicContact CE2-CD1 4.28Å; F417-L443 CarbonylContact C-O 3.54Å; F417-L443 WeakPolarHBondContact CA-O 3.48Å; K418-L443 PolarHBondContact N-O 2.77Å; K418-L443 PolarHBondContact O-N 3.13Å; Y420-L443 HydrophobicContact CD2-CB 4.17Å; Y420-L443 HydrophobicContact CE2-CB 4Å; Y420-L443 HydrophobicContact CE2-CD2 4.34Å; L429-L443 HydrophobicContact CD1-CD1 4.41Å; L443-D470 HydrophobicContact CD1-CB 4.34Å; L443-M824 HydrophobicContact CD2-CE 4.45Å; L443-M824 HydrophobicContact CD2-SD 4.09Å
444	V	98.6	Very high	97.1	Very high	6 Å²	6	39.9 Å²	39.9	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.7	-173	-175	0	0	0	0	110	F417 L442 W448 V450 Y469	F417-V444 HydrophobicContact CB-CG2 4.15Å; L442-V444 PolarHBondContact O-N 3.32Å; V444-W448 HydrophobicContact CG1-CB 3.99Å; V444-W448 WeakPolarHBondContact CG1-O 3.2Å; V444-V450 HydrophobicContact CG2-CB 4.1Å; V444-V450 HydrophobicContact CG2-CG1 3.73Å; V444-Y469 HydrophobicContact CG1-CE1 4.39Å
445	E	97.9	Very high	96.3	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.444	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-64.5	147.5	175.9	-167.6	-176.8	154.8	0	0	111	H416 W448 Y469	H416-E445 HydrophobicContact CB-CB 4.27Å; H416-E445 IonicContact CE1-OE2 2.78Å; H416-E445 IonicContact CG-OE2 2.84Å; H416-E445 IonicContact ND1-OE2 3.15Å; H416-E445 PolarHBondContact ND1-OE2 3.41Å; H416-E445 WeakPolarHBondContact O-CB 3.29Å; H416-E445 PolarHBondContact O-N 3.21Å; E445-W448 WeakPolarHBondContact O-CB 3.36Å; E445-W448 PolarHBondContact O-N 3.39Å; E445-Y469 WeakPolarHBondContact O-CE1 3.34Å
446	R	96.6	Very high	95.3	Very high	80 Å²	80	46 Å²	46	30%	0.302	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	145.8	175.8	67.4	-174.7	76.3	-169.7	1.1	111	E359 W448 I473 E862	E359-R446 HydrophobicContact CG-CB 4.45Å; R446-W448 PolarHBondContact O-N 2.79Å; R446-I473 HydrophobicContact CB-CD1 4.15Å; R446-I473 HydrophobicContact CB-CG2 4.42Å; R446-E862 IonicContact CZ-OE2 2.86Å; R446-E862 VanDerWaalsContact CZ-OE2 3.29Å; R446-E862 IonicContact NH1-OE2 3.72Å; R446-E862 PolarHBondContact NH1-OE2 3.2Å; R446-E862 IonicContact NH2-OE1 3.25Å; R446-E862 PolarHBondContact NH2-OE1 3.47Å; R446-E862 IonicContact NH2-OE2 2.8Å; R446-E862 PolarHBondContact NH2-OE2 3.03Å
447	K	96.7	Very high	94.2	Very high	71 Å²	71	48.5 Å²	48.5	31%	0.309	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	69	-4.4	-177.8	-48.2	-171	177.5	-158.4	0	116.1	E359 E360 R365	E359-K447 HydrophobicContact CG-CB 4.44Å; E359-K447 HydrophobicContact CG-CG 3.7Å; E360-K447 VanDerWaalsContact O-CA 3.25Å; E360-K447 WeakPolarHBondContact O-CA 3.42Å; E360-K447 VanDerWaalsContact O-CB 3.23Å; E360-K447 WeakPolarHBondContact O-CB 3.43Å; E360-K447 WeakPolarHBondContact O-CG 3.48Å; E360-K447 IonicContact OE2-NZ 2.66Å; E360-K447 PolarHBondContact OE2-NZ 3.42Å; R365-K447 WeakPolarHBondContact CB-O 3.29Å; R365-K447 PolarHBondContact NE-O 3.29Å
448	W	97.9	Very high	92.4	Very high	51 Å²	51	60.9 Å²	60.9	19%	0.193	30%	0.3	C	S	.	.			trans	-107.2	149.3	179.6	-76.5	88.3	0	0	0	112	R365 E367 H416 V444 E445 R446 Y469	R365-W448 HydrophobicContact CB-CD2 3.76Å; R365-W448 HydrophobicContact CB-CE3 3.84Å; R365-W448 HydrophobicContact CB-CG 4.23Å; R365-W448 HydrophobicContact CB-CH2 4.43Å; R365-W448 HydrophobicContact CB-CZ2 4.36Å; R365-W448 HydrophobicContact CB-CZ3 4.19Å; R365-W448 HydrophobicContact CG-CD2 4.38Å; R365-W448 HydrophobicContact CG-CH2 4.47Å; R365-W448 HydrophobicContact CG-CZ2 4.18Å; R365-W448 CarbonylContact O-C 3.58Å; R365-W448 WeakPolarHBondContact O-CA 3.28Å; E367-W448 HydrophobicContact CG-CE3 4.12Å; E367-W448 HydrophobicContact CG-CZ3 4.25Å; H416-W448 HydrophobicContact CB-CB 3.98Å; H416-W448 HydrophobicContact CB-CD2 3.39Å; H416-W448 HydrophobicContact CB-CE3 3.74Å; H416-W448 HydrophobicContact CB-CG 3.48Å; H416-W448 VanDerWaalsContact CB-CG 3.48Å; H416-W448 HydrophobicContact CB-CZ2 4.49Å; H416-W448 HydrophobicContact CB-CZ3 4.39Å; H416-W448 AromaticContact CD2-CD2 3.67Å; H416-W448 AromaticContact CD2-CE2 3.31Å; H416-W448 AromaticContact CD2-CE3 3.76Å; H416-W448 AromaticContact CD2-CH2 3.24Å; H416-W448 WeakPolarHBondContact CD2-CH2 3.34Å; H416-W448 AromaticContact CD2-CZ2 3.13Å; H416-W448 WeakPolarHBondContact CD2-CZ2 3.38Å; H416-W448 AromaticContact CD2-CZ3 3.55Å; H416-W448 AromaticContact CD2-NE1 3.95Å; H416-W448 AromaticContact CE1-CE2 3.68Å; H416-W448 AromaticContact CE1-CZ2 3.6Å; H416-W448 AromaticContact CE1-NE1 3.65Å; H416-W448 AromaticContact CG-CD1 3.83Å; H416-W448 AromaticContact CG-CD2 3.4Å; H416-W448 VanDerWaalsContact CG-CD2 3.4Å; H416-W448 AromaticContact CG-CE2 3.23Å; H416-W448 AromaticContact CG-CE3 3.85Å; H416-W448 AromaticContact CG-CG 3.83Å; H416-W448 AromaticContact CG-CZ2 3.6Å; H416-W448 AromaticContact CG-NE1 3.46Å; H416-W448 AromaticContact ND1-CD1 3.81Å; H416-W448 AromaticContact ND1-CE2 3.49Å; H416-W448 AromaticContact ND1-CZ2 3.88Å; H416-W448 AromaticContact ND1-NE1 3.28Å; H416-W448 PolarHBondContact ND1-NE1 3.48Å; H416-W448 AromaticContact NE2-CE2 3.58Å; H416-W448 AromaticContact NE2-CH2 3.53Å; H416-W448 AromaticContact NE2-CZ2 3.11Å; H416-W448 WeakPolarHBondContact NE2-CZ2 3.45Å; V444-W448 HydrophobicContact CG1-CB 3.99Å; V444-W448 WeakPolarHBondContact CG1-O 3.2Å; E445-W448 WeakPolarHBondContact O-CB 3.36Å; E445-W448 PolarHBondContact O-N 3.39Å; R446-W448 PolarHBondContact O-N 2.79Å; W448-Y469 WeakPolarHBondContact O-CE1 3.38Å; W448-Y469 PolarHBondContact O-OH 2.81Å; W448-Y469 VanDerWaalsContact O-OH 3.14Å
449	H	97.8	Very high	90.9	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.065	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	159	169.3	-74.9	-177.7	0	0	0	111.3	R365 T366 E367 G384 F463 D466 Y469	R365-H449 PolarHBondContact O-N 3.23Å; T366-H449 CarbonylContact C-O 3.48Å; T366-H449 WeakPolarHBondContact CA-O 3.37Å; T366-H449 HydrophobicContact CG2-CB 4.14Å; E367-H449 PolarHBondContact N-O 2.98Å; G384-H449 CarbonylContact O-C 3.57Å; G384-H449 VanDerWaalsContact O-CA 3.3Å; G384-H449 WeakPolarHBondContact O-CA 3.24Å; H449-F463 AromaticContact CE1-CE2 3.32Å; H449-F463 WeakPolarHBondContact CE1-CE2 3.45Å; H449-F463 AromaticContact CE1-CZ 3.41Å; H449-F463 VanDerWaalsContact CE1-CZ 3.41Å; H449-F463 WeakPolarHBondContact CE1-CZ 3.34Å; H449-F463 AromaticContact ND1-CE2 3.75Å; H449-F463 AromaticContact ND1-CZ 3.4Å; H449-F463 WeakPolarHBondContact ND1-CZ 3.49Å; H449-D466 IonicContact CE1-OD2 2.75Å; H449-D466 PolarHBondContact CE1-OD2 3.48Å; H449-D466 VanDerWaalsContact NE2-CB 3.29Å; H449-D466 WeakPolarHBondContact NE2-CB 3.23Å; H449-D466 IonicContact NE2-OD2 3.93Å; H449-D466 PolarHBondContact NE2-OD2 3.41Å; H449-Y469 PolarHBondContact CD2-OH 3.31Å
450	V	97.7	Very high	89.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.8	164	70.1	0	0	0	0	110.6	E367 L369 P383 G384 L442 V444	E367-V450 CarbonylContact O-C 3.56Å; E367-V450 WeakPolarHBondContact O-CA 3.2Å; L369-V450 HydrophobicContact CD2-CG2 3.74Å; L369-V450 HydrophobicContact CG-CG2 4.15Å; P383-V450 WeakPolarHBondContact CA-O 3.44Å; P383-V450 WeakPolarHBondContact CB-O 3.46Å; G384-V450 PolarHBondContact N-O 3.22Å; G384-V450 PolarHBondContact O-N 2.8Å; L442-V450 HydrophobicContact CD1-CB 4.47Å; L442-V450 HydrophobicContact CD1-CG1 4.12Å; L442-V450 HydrophobicContact CD1-CG2 3.77Å; V444-V450 HydrophobicContact CG2-CB 4.1Å; V444-V450 HydrophobicContact CG2-CG1 3.73Å
451	A	96.3	Very high	88.4	Confident	22 Å²	22	71.2 Å²	71.2	18%	0.182	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162.4	177.6	0	0	0	0	0	111.1	T366 E367 F368 L369 L381	T366-A451 HydrophobicContact CG2-CB 3.69Å; E367-A451 PolarHBondContact O-N 3Å; F368-A451 CarbonylContact C-O 3.57Å; F368-A451 WeakPolarHBondContact CA-O 3.25Å; F368-A451 HydrophobicContact CD1-CB 3.85Å; F368-A451 HydrophobicContact CE1-CB 3.73Å; L369-A451 PolarHBondContact N-O 3.4Å; L381-A451 VanDerWaalsContact CD2-C 3.42Å
452	R	95.4	Very high	87.7	Confident	59 Å²	59	74 Å²	74	22%	0.223	37%	0.372	C	S	.	.	S	Bend	trans	-74.4	-49	-172.4	-169.2	176.5	69.6	83.9	-3.8	112.5	L369 S370 V376 D377 L381	L369-R452 PolarHBondContact N-O 3.16Å; S370-R452 PolarHBondContact N-O 2.59Å; V376-R452 HydrophobicContact CB-CG 3.96Å; V376-R452 HydrophobicContact CG2-CG 4.29Å; V376-R452 WeakPolarHBondContact O-CD 3.5Å; V376-R452 PolarHBondContact O-NH1 2.91Å; D377-R452 IonicContact OD1-CZ 3.38Å; D377-R452 IonicContact OD1-NH1 3.57Å; D377-R452 PolarHBondContact OD1-NH1 3.37Å; D377-R452 IonicContact OD1-NH2 2.68Å; L381-R452 HydrophobicContact CB-CB 4.35Å; L381-R452 HydrophobicContact CD2-CB 4.13Å
453	K	92.8	Very high	87.4	Confident	95 Å²	95	76.4 Å²	76.4	41%	0.413	38%	0.382	S	S	.	.	S	Bend	trans	-150.5	159.9	179.9	65.9	176.7	-173.7	172.6	0	110.6	F368 V376	F368-K453 WeakPolarHBondContact CD1-O 3.28Å; F368-K453 WeakPolarHBondContact CE1-O 3.1Å; V376-K453 HydrophobicContact CG2-CB 4.45Å
454	V	87.5	Confident	87.2	Confident	70 Å²	70	78.1 Å²	78.1	42%	0.424	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-65.4	129.5	175.8	-175.8	0	0	0	0	109.2	F368	F368-V454 HydrophobicContact CB-CG2 4.33Å; F368-V454 HydrophobicContact CD1-CG2 3.94Å; F368-V454 HydrophobicContact CD2-CG2 3.8Å; F368-V454 HydrophobicContact CE1-CG2 4.22Å; F368-V454 HydrophobicContact CE2-CG2 4.12Å; F368-V454 HydrophobicContact CG-CG2 3.72Å; F368-V454 HydrophobicContact CZ-CG2 4.33Å
455	P	81.5	Confident	87.1	Confident	87 Å²	87	77.8 Å²	77.8	57%	0.565	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-66.3	146.1	174.6	-17.5	30	0	0	0	112
456	E	76.8	Confident	87.1	Confident	189 Å²	189	74.2 Å²	74.2	88%	0.883	38%	0.377	S	S	*	.	S	Bend	trans	-77.9	127.8	172.2	-68.1	171.9	-158.2	0	0	110.4
457	G	75.6	Confident	87.2	Confident	69 Å²	69	70.5 Å²	70.5	71%	0.711	36%	0.363	S	S	*	.	S	Bend	trans	110.6	-179	176.1	0	0	0	0	0	116	R459	G457-R459 PolarHBondContact O-N 3.41Å
458	R	60.8	Low	87.3	Confident	263 Å²	263	67.1 Å²	67.1	99%	0.992	35%	0.349	S	S	*	.			trans	-66.7	128.6	-179.3	-79.9	-174.3	178.9	178.1	0.3	111.2	H460	R458-H460 PolarHBondContact O-N 3.09Å
459	R	65.6	Low	87.4	Confident	116 Å²	116	64.8 Å²	64.8	44%	0.438	34%	0.34	S	S	.	.			trans	-76	117.9	174.9	-83.1	-179	177.2	-179.8	2.7	111.2	C363 G457	C363-R459 PolarHBondContact O-NH1 2.86Å; G457-R459 PolarHBondContact O-N 3.41Å
460	H	71.9	Confident	87.4	Confident	172 Å²	172	64.4 Å²	64.4	80%	0.796	34%	0.338	S	S	*	.			trans	-111.6	117.3	152.2	-176.7	66.7	0	0	0	106.7	R458 G462	R458-H460 PolarHBondContact O-N 3.09Å; H460-G462 PolarHBondContact O-N 3.01Å
461	C	73.2	Confident	87.5	Confident	23 Å²	23	64.6 Å²	64.6	16%	0.155	34%	0.339	C	S	.	.			trans	-62.6	-27.9	-172.5	-61.4	0	0	0	0	112.4	H362 C363 F463	H362-C461 PolarHBondContact CE1-SG 3.42Å; H362-C461 PolarHBondContact NE2-SG 3.34Å; C363-C461 VanDerWaalsContact CA-SG 3.6Å; C363-C461 HydrophobicContact CB-CB 3.64Å; C363-C461 WeakPolarHBondContact CB-SG 3.43Å; C363-C461 PolarHBondContact N-SG 3.12Å; C363-C461 WeakPolarHBondContact SG-CA 3.45Å; C363-C461 WeakPolarHBondContact SG-CB 3.28Å; C363-C461 CovalentContact SG-SG 2.02Å; C363-C461 PolarHBondContact SG-SG 2.8Å; C461-F463 WeakPolarHBondContact O-CD1 3.42Å; C461-F463 VanDerWaalsContact O-CE1 3.29Å; C461-F463 WeakPolarHBondContact O-CE1 3.3Å; C461-F463 PolarHBondContact O-N 3.35Å
462	G	83.4	Confident	87.5	Confident	58 Å²	58	64.6 Å²	64.6	60%	0.598	34%	0.335	S	S	*	.			trans	64.8	-6.5	175.5	0	0	0	0	0	115.5	H460	H460-G462 PolarHBondContact O-N 3.01Å
463	F	91.9	Very high	87.7	Confident	50 Å²	50	62.2 Å²	62.2	22%	0.219	33%	0.327	C	S	.	.			trans	-145.6	151.3	174.6	67.5	-90.3	0	0	0	110	H312 A361 C363 H449 C461	H312-F463 CarbonylContact O-C 3.59Å; H312-F463 WeakPolarHBondContact O-CA 3.34Å; H312-F463 WeakPolarHBondContact O-CB 3.47Å; A361-F463 HydrophobicContact CB-CD2 4.01Å; A361-F463 HydrophobicContact CB-CE2 3.71Å; C363-F463 HydrophobicContact CB-CZ 4.41Å; H449-F463 AromaticContact CE1-CE2 3.32Å; H449-F463 WeakPolarHBondContact CE1-CE2 3.45Å; H449-F463 AromaticContact CE1-CZ 3.41Å; H449-F463 VanDerWaalsContact CE1-CZ 3.41Å; H449-F463 WeakPolarHBondContact CE1-CZ 3.34Å; H449-F463 AromaticContact ND1-CE2 3.75Å; H449-F463 AromaticContact ND1-CZ 3.4Å; H449-F463 WeakPolarHBondContact ND1-CZ 3.49Å; C461-F463 WeakPolarHBondContact O-CD1 3.42Å; C461-F463 VanDerWaalsContact O-CE1 3.29Å; C461-F463 WeakPolarHBondContact O-CE1 3.3Å; C461-F463 PolarHBondContact O-N 3.35Å
464	S	95.3	Very high	87.9	Confident	49 Å²	49	58.6 Å²	58.6	34%	0.343	31%	0.312	S	S	.	.	S	Bend	trans	-123.8	-2.6	173.6	-57.5	0	0	0	0	111.8	H312 K313 G315 A361	H312-S464 PolarHBondContact O-N 3.4Å; K313-S464 WeakPolarHBondContact O-CB 3.32Å; K313-S464 PolarHBondContact O-OG 2.9Å; K313-S464 VanDerWaalsContact O-OG 3.09Å; G315-S464 WeakPolarHBondContact CA-O 3.42Å; A361-S464 PolarHBondContact N-O 2.78Å; A361-S464 VanDerWaalsContact N-O 3.13Å; A361-S464 CarbonylContact O-C 3.57Å; A361-S464 WeakPolarHBondContact O-CA 3.49Å
465	G	97.1	Very high	88.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.9	174.7	0	0	0	0	0	112.3	H312 E359	H312-G465 PolarHBondContact ND1-O 2.83Å; H312-G465 PolarHBondContact O-N 3.22Å; H312-G465 VanDerWaalsContact O-N 3.12Å; E359-G465 CarbonylContact O-C 3.58Å; E359-G465 WeakPolarHBondContact O-CA 3.28Å
466	D	98.1	Very high	89.3	Confident	19 Å²	19	51.2 Å²	51.2	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	169.6	168.4	-156.6	-13.2	0	0	0	109.6	K205 H312 M358 E359 A361 H449	K205-D466 IonicContact NZ-OD1 3.67Å; K205-D466 PolarHBondContact NZ-OD1 3.42Å; K205-D466 IonicContact NZ-OD2 3.77Å; H312-D466 IonicContact CE1-OD1 3.79Å; H312-D466 PolarHBondContact CE1-OD1 3.28Å; M358-D466 PolarHBondContact SD-N 2.86Å; E359-D466 WeakPolarHBondContact CA-O 3.14Å; E359-D466 WeakPolarHBondContact CB-O 3.41Å; E359-D466 PolarHBondContact N-O 3.32Å; E359-D466 PolarHBondContact O-N 2.84Å; A361-D466 HydrophobicContact CB-CB 3.73Å; H449-D466 IonicContact CE1-OD2 2.75Å; H449-D466 PolarHBondContact CE1-OD2 3.48Å; H449-D466 VanDerWaalsContact NE2-CB 3.29Å; H449-D466 WeakPolarHBondContact NE2-CB 3.23Å; H449-D466 IonicContact NE2-OD2 3.93Å; H449-D466 PolarHBondContact NE2-OD2 3.41Å
467	H	98.6	Very high	90.3	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	22%	0.224	C	C	.	.			trans	-145.8	172.4	-177.1	60.5	97.3	0	0	0	108.9	S204 K205 D308 H312 H356 G357 S385 M476	S204-H467 PolarHBondContact O-ND1 3.21Å; K205-H467 VanDerWaalsContact CD-CE1 3.44Å; K205-H467 WeakPolarHBondContact CD-CE1 3.25Å; K205-H467 WeakPolarHBondContact CD-ND1 3.24Å; K205-H467 WeakPolarHBondContact CE-O 3.29Å; K205-H467 PolarHBondContact NZ-O 2.69Å; D308-H467 IonicContact OD1-CD2 3.35Å; D308-H467 IonicContact OD1-NE2 2.74Å; D308-H467 PolarHBondContact OD1-NE2 2.98Å; H312-H467 AromaticContact CE1-CD2 3.43Å; H312-H467 PolarHBondContact CE1-CD2 2.79Å; H312-H467 VanDerWaalsContact CE1-CD2 3.43Å; H312-H467 AromaticContact CE1-NE2 3.55Å; H312-H467 AromaticContact NE2-CD2 3.42Å; H312-H467 PolarHBondContact NE2-CD2 2.84Å; H312-H467 AromaticContact NE2-NE2 3.16Å; H312-H467 PolarHBondContact NE2-NE2 2.79Å; H312-H467 VanDerWaalsContact NE2-NE2 3.16Å; H356-H467 AromaticContact CD2-CE1 3.87Å; H356-H467 AromaticContact CD2-ND1 3.62Å; H356-H467 AromaticContact CE1-CD2 3.65Å; H356-H467 AromaticContact CE1-CE1 3.07Å; H356-H467 PolarHBondContact CE1-CE1 3.37Å; H356-H467 AromaticContact CE1-CG 3.42Å; H356-H467 VanDerWaalsContact CE1-CG 3.42Å; H356-H467 AromaticContact CE1-ND1 3.05Å; H356-H467 PolarHBondContact CE1-ND1 2.85Å; H356-H467 AromaticContact CE1-NE2 3.52Å; H356-H467 AromaticContact CG-ND1 3.62Å; H356-H467 AromaticContact ND1-CE1 3.77Å; H356-H467 AromaticContact ND1-CG 3.44Å; H356-H467 AromaticContact ND1-ND1 3.26Å; H356-H467 PolarHBondContact ND1-ND1 3.34Å; H356-H467 AromaticContact NE2-CE1 3.03Å; H356-H467 PolarHBondContact NE2-CE1 2.98Å; H356-H467 AromaticContact NE2-ND1 3.2Å; H356-H467 PolarHBondContact NE2-ND1 3.4Å; H356-H467 AromaticContact NE2-NE2 3.86Å; G357-H467 WeakPolarHBondContact O-CB 3.34Å; S385-H467 VanDerWaalsContact CB-O 3.32Å; S385-H467 WeakPolarHBondContact CB-O 3.41Å; S385-H467 PolarHBondContact OG-O 3.33Å; H467-M476 HydrophobicContact CB-CE 4.01Å; H467-M476 HydrophobicContact CB-SD 3.87Å
468	G	98.5	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.			trans	116.1	-4.9	-175.7	0	0	0	0	0	114.5	Y202 S204 S385	Y202-G468 WeakPolarHBondContact CE2-O 3.21Å; S204-G468 WeakPolarHBondContact O-CA 3.45Å; S204-G468 PolarHBondContact O-N 3.47Å; S204-G468 VanDerWaalsContact O-N 3.1Å; S204-G468 WeakPolarHBondContact OG-CA 3.42Å; S204-G468 PolarHBondContact OG-N 3.41Å; S385-G468 WeakPolarHBondContact OG-CA 3.05Å
469	Y	98.8	Very high	93.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.144	C	C	.	.	S	Bend	trans	-63.7	176.3	173	-53.4	-81	0	0	0	112.3	Y202 S204 E359 S385 V444 E445 W448 H449 N471 M476	Y202-Y469 WeakPolarHBondContact CD2-O 3.24Å; S204-Y469 PolarHBondContact OG-N 3.5Å; S204-Y469 VanDerWaalsContact OG-N 3.15Å; S204-Y469 PolarHBondContact OG-O 2.8Å; E359-Y469 HydrophobicContact CB-CD2 4.23Å; E359-Y469 HydrophobicContact CB-CE2 3.85Å; E359-Y469 HydrophobicContact CG-CE2 4.17Å; S385-Y469 VanDerWaalsContact CB-CZ 3.5Å; S385-Y469 WeakPolarHBondContact O-CD1 3.43Å; V444-Y469 HydrophobicContact CG1-CE1 4.39Å; E445-Y469 WeakPolarHBondContact O-CE1 3.34Å; W448-Y469 WeakPolarHBondContact O-CE1 3.38Å; W448-Y469 PolarHBondContact O-OH 2.81Å; W448-Y469 VanDerWaalsContact O-OH 3.14Å; H449-Y469 PolarHBondContact CD2-OH 3.31Å; Y469-N471 PolarHBondContact O-N 3.36Å; Y469-M476 HydrophobicContact CD2-CE 4Å; Y469-M476 HydrophobicContact CD2-SD 3.75Å; Y469-M476 HydrophobicContact CG-SD 4.43Å
470	D	98.8	Very high	94.8	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.032	12%	0.123	C	C	.	.			trans	-45.6	127.8	173.5	-177.3	-15.6	0	0	0	111.9	R428 L443 K472 I473	R428-D470 IonicContact CZ-OD1 3.3Å; R428-D470 IonicContact CZ-OD2 2.88Å; R428-D470 IonicContact NH1-OD1 3.05Å; R428-D470 PolarHBondContact NH1-OD1 3.1Å; R428-D470 IonicContact NH1-OD2 3.92Å; R428-D470 IonicContact NH2-OD1 3.45Å; R428-D470 PolarHBondContact NH2-OD1 2.9Å; R428-D470 IonicContact NH2-OD2 3.39Å; R428-D470 PolarHBondContact NH2-OD2 2.97Å; L443-D470 HydrophobicContact CD1-CB 4.34Å; D470-K472 PolarHBondContact O-N 3.05Å; D470-K472 VanDerWaalsContact O-N 3.15Å; D470-K472 PolarHBondContact OD1-N 3.06Å; D470-K472 VanDerWaalsContact OD1-N 3.07Å; D470-I473 HydrophobicContact CB-CD1 3.86Å; D470-I473 HydrophobicContact CB-CG1 4.03Å; D470-I473 WeakPolarHBondContact O-CB 3.07Å; D470-I473 WeakPolarHBondContact O-CG1 3.36Å; D470-I473 PolarHBondContact O-N 3.37Å; D470-I473 VanDerWaalsContact O-N 3.1Å
471	N	98.6	Very high	96.1	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.032	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-9.8	-172.6	72.8	-26.9	0	0	0	114.3	R199 P200 R428 L429 Y469 Q477	R199-N471 WeakPolarHBondContact CG-O 3.25Å; P200-N471 HydrophobicContact CG-CB 4.21Å; P200-N471 VanDerWaalsContact O-CB 3.29Å; P200-N471 WeakPolarHBondContact O-CB 3.46Å; P200-N471 PolarHBondContact O-ND2 3.15Å; R428-N471 PolarHBondContact NH1-OD1 3.49Å; L429-N471 WeakPolarHBondContact CD2-OD1 3.39Å; Y469-N471 PolarHBondContact O-N 3.36Å; N471-Q477 PolarHBondContact O-NE2 3.05Å
472	K	97.9	Very high	97.3	Very high	21 Å²	21	12.1 Å²	12.1	9%	0.091	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-17	172.2	81.5	177.9	-175	79.1	0	113.4	D470 Q477 M858 T860 E862	D470-K472 PolarHBondContact O-N 3.05Å; D470-K472 VanDerWaalsContact O-N 3.15Å; D470-K472 PolarHBondContact OD1-N 3.06Å; D470-K472 VanDerWaalsContact OD1-N 3.07Å; K472-Q477 PolarHBondContact O-NE2 2.72Å; K472-M858 HydrophobicContact CB-CE 4.01Å; K472-T860 HydrophobicContact CB-CG2 4.45Å; K472-T860 PolarHBondContact NZ-O 2.94Å; K472-E862 IonicContact NZ-OE1 2.86Å; K472-E862 PolarHBondContact NZ-OE1 3.4Å; K472-E862 WeakPolarHBondContact O-CG 3.49Å
473	I	98.4	Very high	98	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.051	5%	0.054	C	C	.	.	S	Bend	trans	-67.4	134.4	-172.1	-66.8	-179.7	0	0	0	110.8	R446 D470 S475 M476 Q477	R446-I473 HydrophobicContact CB-CD1 4.15Å; R446-I473 HydrophobicContact CB-CG2 4.42Å; D470-I473 HydrophobicContact CB-CD1 3.86Å; D470-I473 HydrophobicContact CB-CG1 4.03Å; D470-I473 WeakPolarHBondContact O-CB 3.07Å; D470-I473 WeakPolarHBondContact O-CG1 3.36Å; D470-I473 PolarHBondContact O-N 3.37Å; D470-I473 VanDerWaalsContact O-N 3.1Å; I473-S475 VanDerWaalsContact C-N 3.31Å; I473-S475 VanDerWaalsContact CG2-OG 3.3Å; I473-S475 WeakPolarHBondContact CG2-OG 3.37Å; I473-S475 PolarHBondContact O-N 3.25Å; I473-M476 HydrophobicContact CB-CG 4.14Å; I473-M476 HydrophobicContact CG2-CG 4.38Å; I473-M476 WeakPolarHBondContact O-CB 3.43Å; I473-M476 PolarHBondContact O-N 2.84Å; I473-Q477 PolarHBondContact O-N 3.07Å; I473-Q477 PolarHBondContact O-NE2 3.18Å
474	N	98.1	Very high	98.3	Very high	18 Å²	18	8.4 Å²	8.4	10%	0.096	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-53.4	-41.7	-176.9	-80.8	-9.7	0	0	0	114.6	M476 Q477 E862 S863 I865	N474-M476 PolarHBondContact O-N 2.85Å; N474-Q477 PolarHBondContact O-N 2.79Å; N474-E862 VanDerWaalsContact OD1-CB 3.24Å; N474-E862 WeakPolarHBondContact OD1-CB 3.4Å; N474-S863 PolarHBondContact ND2-O 3.04Å; N474-S863 PolarHBondContact ND2-OG 3.01Å; N474-S863 PolarHBondContact OD1-O 2.93Å; N474-I865 HydrophobicContact CB-CD1 4.27Å; N474-I865 HydrophobicContact CB-CG1 3.96Å; N474-I865 WeakPolarHBondContact OD1-CG1 3.36Å
475	S	98.4	Very high	98.4	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.014	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-68.1	-19.3	179.2	52	0	0	0	0	113.6	G357 M358 E359 I473	G357-S475 CarbonylContact C-O 3.53Å; G357-S475 VanDerWaalsContact CA-O 3.27Å; G357-S475 WeakPolarHBondContact CA-O 3.21Å; M358-S475 PolarHBondContact N-O 3.47Å; E359-S475 VanDerWaalsContact CD-OG 3.3Å; E359-S475 WeakPolarHBondContact OE2-CB 3.43Å; E359-S475 PolarHBondContact OE2-OG 3Å; I473-S475 VanDerWaalsContact C-N 3.31Å; I473-S475 VanDerWaalsContact CG2-OG 3.3Å; I473-S475 WeakPolarHBondContact CG2-OG 3.37Å; I473-S475 PolarHBondContact O-N 3.25Å
476	M	98.8	Very high	98.5	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-88.6	-11.7	176.7	-60.2	-61.1	89.7	0	0	113.2	P200 S204 G357 E359 H467 Y469 I473 N474	P200-M476 WeakPolarHBondContact CG-O 3.43Å; S204-M476 PolarHBondContact OG-SD 2.79Å; G357-M476 PolarHBondContact N-O 3.31Å; E359-M476 HydrophobicContact CB-CE 3.66Å; H467-M476 HydrophobicContact CB-CE 4.01Å; H467-M476 HydrophobicContact CB-SD 3.87Å; Y469-M476 HydrophobicContact CD2-CE 4Å; Y469-M476 HydrophobicContact CD2-SD 3.75Å; Y469-M476 HydrophobicContact CG-SD 4.43Å; I473-M476 HydrophobicContact CB-CG 4.14Å; I473-M476 HydrophobicContact CG2-CG 4.38Å; I473-M476 WeakPolarHBondContact O-CB 3.43Å; I473-M476 PolarHBondContact O-N 2.84Å; N474-M476 PolarHBondContact O-N 2.85Å
477	Q	98.8	Very high	98.5	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.038	C	C	.	.			trans	-69.4	147.8	178.5	-49.2	-52.6	-63.3	0	0	111	A172 Y197 R199 N471 K472 I473 N474 I865	A172-Q477 HydrophobicContact CB-CB 4.17Å; A172-Q477 PolarHBondContact N-O 2.94Å; Y197-Q477 HydrophobicContact CD2-CB 3.95Å; Y197-Q477 HydrophobicContact CD2-CG 3.79Å; Y197-Q477 HydrophobicContact CE2-CG 4.26Å; Y197-Q477 HydrophobicContact CG-CB 4.06Å; Y197-Q477 HydrophobicContact CG-CG 4.2Å; R199-Q477 VanDerWaalsContact CA-OE1 3.31Å; N471-Q477 PolarHBondContact O-NE2 3.05Å; K472-Q477 PolarHBondContact O-NE2 2.72Å; I473-Q477 PolarHBondContact O-N 3.07Å; I473-Q477 PolarHBondContact O-NE2 3.18Å; N474-Q477 PolarHBondContact O-N 2.79Å; Q477-I865 HydrophobicContact CB-CD1 3.65Å; Q477-I865 HydrophobicContact CG-CD1 3.34Å
478	T	98.8	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-127.4	177.1	-171.9	-161.3	0	0	0	0	111.8	F170 Y197 M198 G354 H356	F170-T478 PolarHBondContact O-OG1 2.93Å; Y197-T478 CarbonylContact C-O 3.58Å; Y197-T478 WeakPolarHBondContact CA-O 3.34Å; M198-T478 HydrophobicContact CB-CG2 4.24Å; M198-T478 HydrophobicContact CE-CG2 3.55Å; M198-T478 PolarHBondContact N-O 3.43Å; M198-T478 PolarHBondContact O-N 2.97Å; G354-T478 WeakPolarHBondContact CA-OG1 3.15Å; G354-T478 WeakPolarHBondContact O-CG2 3.29Å; H356-T478 WeakPolarHBondContact O-CB 3.04Å; H356-T478 PolarHBondContact O-OG1 3.34Å
479	I	98.6	Very high	98.5	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.026	7%	0.065	C	C	.	.			trans	-90.1	152.2	-176.5	62.9	165.3	0	0	0	113.1	V167 F170 V175 L352 V353 G354	V167-I479 HydrophobicContact CG2-CD1 3.85Å; V167-I479 HydrophobicContact CG2-CG1 4.29Å; F170-I479 HydrophobicContact CB-CD1 4.4Å; F170-I479 HydrophobicContact CB-CG1 4.28Å; F170-I479 HydrophobicContact CD1-CB 4.33Å; F170-I479 HydrophobicContact CD1-CD1 3.72Å; F170-I479 HydrophobicContact CD1-CG1 3.91Å; F170-I479 HydrophobicContact CD1-CG2 3.51Å; F170-I479 HydrophobicContact CD2-CD1 4.2Å; F170-I479 HydrophobicContact CE1-CD1 3.95Å; F170-I479 HydrophobicContact CE1-CG1 4.49Å; F170-I479 HydrophobicContact CE1-CG2 3.72Å; F170-I479 HydrophobicContact CE2-CD1 4.42Å; F170-I479 HydrophobicContact CG-CD1 3.85Å; F170-I479 HydrophobicContact CG-CG1 4.14Å; F170-I479 HydrophobicContact CZ-CD1 4.3Å; V175-I479 HydrophobicContact CG1-CG2 3.66Å; L352-I479 HydrophobicContact CD2-CD1 4.17Å; L352-I479 HydrophobicContact CG-CD1 4.16Å; V353-I479 WeakPolarHBondContact CA-O 3.44Å; G354-I479 PolarHBondContact N-O 2.94Å
480	F	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	125.7	161.5	165.1	-94.1	0	0	0	109.7	A195 M198 I351 F487 F496 L501 L526	A195-F480 HydrophobicContact CB-CD1 4.49Å; A195-F480 PolarHBondContact N-O 3.23Å; M198-F480 HydrophobicContact CB-CB 3.99Å; M198-F480 HydrophobicContact SD-CB 4.11Å; I351-F480 HydrophobicContact CG1-CE2 4.43Å; I351-F480 HydrophobicContact CG2-CD2 4.2Å; I351-F480 HydrophobicContact CG2-CE2 3.97Å; F480-F487 HydrophobicContact CZ-CE1 4Å; F480-F487 HydrophobicContact CZ-CZ 4.4Å; F480-F496 HydrophobicContact CB-CE1 4.42Å; F480-F496 HydrophobicContact CB-CZ 3.94Å; F480-F496 AromaticContact CD1-CE1 3.63Å; F480-F496 HydrophobicContact CD1-CE1 3.63Å; F480-F496 AromaticContact CD1-CZ 3.49Å; F480-F496 HydrophobicContact CD1-CZ 3.49Å; F480-F496 VanDerWaalsContact CD1-CZ 3.49Å; F480-F496 AromaticContact CD2-CZ 3.82Å; F480-F496 HydrophobicContact CD2-CZ 3.82Å; F480-F496 HydrophobicContact CE1-CE1 4.07Å; F480-F496 AromaticContact CE1-CZ 3.92Å; F480-F496 HydrophobicContact CE1-CZ 3.92Å; F480-F496 HydrophobicContact CE2-CZ 4.2Å; F480-F496 HydrophobicContact CG-CE1 4.01Å; F480-F496 HydrophobicContact CG-CE2 4.49Å; F480-F496 AromaticContact CG-CZ 3.44Å; F480-F496 HydrophobicContact CG-CZ 3.44Å; F480-F496 VanDerWaalsContact CG-CZ 3.44Å; F480-F496 HydrophobicContact CZ-CZ 4.26Å; F480-L501 HydrophobicContact CD2-CD1 4.25Å; F480-L501 HydrophobicContact CD2-CD2 3.79Å; F480-L501 HydrophobicContact CE2-CD2 3.56Å; F480-L501 HydrophobicContact CZ-CD2 4.4Å; F480-L526 HydrophobicContact CE1-CD2 3.58Å; F480-L526 HydrophobicContact CE1-CG 4.41Å; F480-L526 HydrophobicContact CZ-CD2 3.6Å
481	L	98.7	Very high	98.5	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.031	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.9	171.5	-43.3	179.1	0	0	0	109.6	I185 L188 R189 H194 I351 L352	I185-L481 HydrophobicContact CG2-CD1 3.75Å; L188-L481 HydrophobicContact CB-CD1 4.21Å; R189-L481 HydrophobicContact CB-CD1 4.02Å; R189-L481 HydrophobicContact CB-CD2 3.67Å; R189-L481 HydrophobicContact CG-CD2 3.58Å; H194-L481 HydrophobicContact CB-CD2 3.57Å; I351-L481 WeakPolarHBondContact CA-O 3.44Å; L352-L481 HydrophobicContact CB-CB 4.26Å; L352-L481 HydrophobicContact CB-CD1 4.44Å; L352-L481 HydrophobicContact CD2-CD1 3.83Å; L352-L481 PolarHBondContact N-O 2.91Å; L352-L481 PolarHBondContact O-N 3.24Å
482	G	98.8	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	171	0	0	0	0	0	111	G192 T193 I350	G192-G482 WeakPolarHBondContact CA-O 3.2Å; T193-G482 PolarHBondContact N-O 3Å; T193-G482 PolarHBondContact O-N 2.76Å; I350-G482 WeakPolarHBondContact O-CA 3.31Å
483	Y	98.8	Very high	98.5	Very high	20 Å²	20	26.3 Å²	26.3	8%	0.078	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141	178.6	178.8	-90.9	0	0	0	110.4	W140 I148 L188 C191 M336 N349 I350	W140-Y483 HydrophobicContact CZ2-CE2 4.22Å; W140-Y483 PolarHBondContact NE1-OH 3.42Å; I148-Y483 HydrophobicContact CD1-CE1 4.34Å; L188-Y483 HydrophobicContact CD2-CD1 3.87Å; L188-Y483 HydrophobicContact CD2-CD2 3.95Å; L188-Y483 HydrophobicContact CD2-CE1 4.46Å; L188-Y483 HydrophobicContact CD2-CG 3.58Å; C191-Y483 HydrophobicContact CB-CD2 4.39Å; C191-Y483 HydrophobicContact CB-CE2 3.99Å; M336-Y483 HydrophobicContact CE-CD1 4.19Å; M336-Y483 HydrophobicContact CE-CE1 3.75Å; N349-Y483 CarbonylContact C-O 3.55Å; N349-Y483 WeakPolarHBondContact CA-O 3.21Å; I350-Y483 HydrophobicContact CD1-CD1 4.42Å; I350-Y483 PolarHBondContact N-O 3.07Å; I350-Y483 PolarHBondContact O-N 2.79Å
484	G	98.1	Very high	98.4	Very high	9 Å²	9	29.4 Å²	29.4	9%	0.093	15%	0.146	C	C	.	.	S	Bend	trans	135.9	-178.5	179.5	0	0	0	0	0	112.8	V348 T486 F487	V348-G484 WeakPolarHBondContact O-CA 3.29Å; G484-T486 VanDerWaalsContact C-N 3.26Å; G484-T486 PolarHBondContact O-N 2.89Å; G484-F487 PolarHBondContact O-N 3.41Å
485	P	97.6	Very high	98.3	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.032	15%	0.149	C	C	.	.	S	Bend	trans	-64	-27.6	-173.5	24.8	-34.4	0	0	0	114.2	I148 P151 P160 C347 V348 N349	I148-P485 HydrophobicContact CG2-CB 3.67Å; P151-P485 HydrophobicContact CB-CB 4.09Å; P151-P485 HydrophobicContact CB-CG 3.98Å; P151-P485 HydrophobicContact CG-CB 3.78Å; P151-P485 HydrophobicContact CG-CG 3.89Å; P160-P485 HydrophobicContact CB-CG 4.32Å; P160-P485 HydrophobicContact CG-CG 4.1Å; C347-P485 WeakPolarHBondContact O-CG 3.32Å; V348-P485 VanDerWaalsContact O-CD 3.28Å; V348-P485 WeakPolarHBondContact O-CD 3.1Å; N349-P485 WeakPolarHBondContact OD1-CD 3.32Å
486	T	98.1	Very high	98.4	Very high	32 Å²	32	29.9 Å²	29.9	20%	0.196	15%	0.15	C	C	.	.	S	Bend	trans	-90.5	-24.4	-174.2	-46.1	0	0	0	0	112.9	N349 G484 L508 L527 R528	N349-T486 PolarHBondContact ND2-OG1 3.43Å; N349-T486 WeakPolarHBondContact OD1-CB 3.42Å; N349-T486 PolarHBondContact OD1-N 2.98Å; N349-T486 VanDerWaalsContact OD1-N 3.12Å; N349-T486 PolarHBondContact OD1-OG1 2.88Å; G484-T486 VanDerWaalsContact C-N 3.26Å; G484-T486 PolarHBondContact O-N 2.89Å; T486-L508 HydrophobicContact CG2-CD2 3.46Å; T486-L508 VanDerWaalsContact CG2-CD2 3.46Å; T486-L527 HydrophobicContact CG2-CD2 4.41Å; T486-L527 WeakPolarHBondContact O-CA 3.37Å; T486-R528 PolarHBondContact O-N 3.37Å
487	F	98.6	Very high	98.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-77	155.6	173.9	-73	-72.4	0	0	0	111.4	N349 I351 F480 G484 V504 L508 L526 L527	N349-F487 HydrophobicContact CB-CE2 4.37Å; I351-F487 HydrophobicContact CD1-CZ 4.12Å; I351-F487 HydrophobicContact CG1-CE2 4.05Å; I351-F487 HydrophobicContact CG1-CZ 3.73Å; F480-F487 HydrophobicContact CZ-CE1 4Å; F480-F487 HydrophobicContact CZ-CZ 4.4Å; G484-F487 PolarHBondContact O-N 3.41Å; F487-V504 HydrophobicContact CE1-CG1 4.5Å; F487-L508 HydrophobicContact CE2-CD1 3.91Å; F487-L508 HydrophobicContact CE2-CD2 4.42Å; F487-L508 HydrophobicContact CZ-CD1 3.74Å; F487-L508 HydrophobicContact CZ-CD2 4.46Å; F487-L526 HydrophobicContact CD1-CB 4.49Å; F487-L527 HydrophobicContact CD1-CD2 4.01Å; F487-L527 HydrophobicContact CE1-CD2 4Å
488	K	98.6	Very high	98.4	Very high	74 Å²	74	30.2 Å²	30.2	32%	0.322	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-69.7	150.7	171.6	-68.3	-178	178.6	170.4	0	111.3	G192 T193 T491 H525 L526 L527	G192-K488 CarbonylContact C-O 3.21Å; T193-K488 PolarHBondContact N-O 3.2Å; T193-K488 WeakPolarHBondContact OG1-CA 3.1Å; T193-K488 PolarHBondContact OG1-N 2.9Å; T193-K488 VanDerWaalsContact OG1-N 3.15Å; T193-K488 PolarHBondContact OG1-O 3.11Å; K488-T491 HydrophobicContact CB-CG2 4.26Å; K488-T491 VanDerWaalsContact CB-OG1 3.31Å; K488-T491 WeakPolarHBondContact CB-OG1 3.45Å; K488-T491 HydrophobicContact CD-CG2 4.15Å; K488-H525 VanDerWaalsContact CD-O 3.32Å; K488-H525 WeakPolarHBondContact CD-O 3.44Å; K488-H525 WeakPolarHBondContact CE-O 3.34Å; K488-H525 PolarHBondContact NZ-O 3.4Å; K488-L526 PolarHBondContact N-O 3.09Å; K488-L527 VanDerWaalsContact CE-O 3.23Å; K488-L527 WeakPolarHBondContact CE-O 3.35Å
489	F	98.6	Very high	98.4	Very high	57 Å²	57	30.2 Å²	30.2	25%	0.25	15%	0.152	C	C	.	.	S	Bend	trans	-85.3	138.6	177.3	-179.1	-117.2	0	0	0	110.9	C145 E146 E147 C191 T491	C145-F489 HydrophobicContact CB-CE2 4.1Å; C145-F489 HydrophobicContact CB-CZ 4.11Å; E146-F489 WeakPolarHBondContact O-CE2 3.38Å; E147-F489 HydrophobicContact CB-CD1 3.9Å; E147-F489 HydrophobicContact CB-CD2 4.32Å; E147-F489 HydrophobicContact CB-CE1 4.1Å; E147-F489 HydrophobicContact CB-CG 4.01Å; E147-F489 HydrophobicContact CB-CZ 4.39Å; E147-F489 HydrophobicContact CG-CB 3.96Å; E147-F489 HydrophobicContact CG-CD1 4.14Å; E147-F489 HydrophobicContact CG-CG 4.01Å; C191-F489 HydrophobicContact CB-CE2 4.45Å; C191-F489 WeakPolarHBondContact O-CD2 3.5Å; F489-T491 PolarHBondContact O-N 3.19Å; F489-T491 VanDerWaalsContact O-N 3.1Å; F489-T491 PolarHBondContact O-OG1 2.03Å
490	K	98.4	Very high	98.4	Very high	126 Å²	126	30.2 Å²	30.2	55%	0.548	15%	0.152	S	C	.	.	S	Bend	trans	43.4	45.9	176.2	-60.6	-168.2	168.2	179.1	0	114.2	T190 C191 G192	T190-K490 WeakPolarHBondContact O-CG 3.42Å; C191-K490 PolarHBondContact O-N 2.83Å; G192-K490 WeakPolarHBondContact O-CA 3.44Å; G192-K490 PolarHBondContact O-N 3.05Å
491	T	98.6	Very high	98.4	Very high	35 Å²	35	30.2 Å²	30.2	22%	0.215	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.1	-171.6	-63.4	0	0	0	0	111.5	G192 T193 H194 K488 F489 V493	G192-T491 PolarHBondContact O-N 3.36Å; T193-T491 CarbonylContact C-O 3.57Å; T193-T491 VanDerWaalsContact CA-O 3.25Å; T193-T491 WeakPolarHBondContact CA-O 3.44Å; H194-T491 PolarHBondContact N-O 3.43Å; K488-T491 HydrophobicContact CB-CG2 4.26Å; K488-T491 VanDerWaalsContact CB-OG1 3.31Å; K488-T491 WeakPolarHBondContact CB-OG1 3.45Å; K488-T491 HydrophobicContact CD-CG2 4.15Å; F489-T491 PolarHBondContact O-N 3.19Å; F489-T491 VanDerWaalsContact O-N 3.1Å; F489-T491 PolarHBondContact O-OG1 2.03Å; T491-V493 HydrophobicContact CG2-CG1 3.99Å
492	K	98.4	Very high	98.4	Very high	145 Å²	145	30 Å²	30	63%	0.63	15%	0.151	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.2	166.8	-174.7	179.4	178.4	-174.9	0	109.1	H194	H194-K492 CarbonylContact O-C 3.56Å; H194-K492 WeakPolarHBondContact O-CA 3.35Å
493	V	98	Very high	98.4	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.036	15%	0.152	C	C	.	.			trans	-111.7	159.5	176.4	-60.2	0	0	0	0	110.8	T193 H194 A195 P196 T491 F496 L526	T193-V493 HydrophobicContact CG2-CG1 3.78Å; T193-V493 HydrophobicContact CG2-CG2 4.32Å; H194-V493 WeakPolarHBondContact O-CG2 3.23Å; H194-V493 PolarHBondContact O-N 2.94Å; A195-V493 HydrophobicContact CB-CG2 4.01Å; P196-V493 WeakPolarHBondContact CD-O 3.41Å; T491-V493 HydrophobicContact CG2-CG1 3.99Å; V493-F496 HydrophobicContact CG2-CE1 4.36Å; V493-L526 HydrophobicContact CB-CD1 4.16Å; V493-L526 HydrophobicContact CG1-CD1 4Å; V493-L526 HydrophobicContact CG1-CG 4.25Å; V493-L526 HydrophobicContact CG2-CD1 3.99Å; V493-L526 HydrophobicContact CG2-CG 4.23Å
494	P	96.4	Very high	98.4	Very high	75 Å²	75	29.4 Å²	29.4	49%	0.487	15%	0.149	S	C	.	.			trans	-60.4	163	171.6	-22.8	35	0	0	0	112.6
495	A	97.4	Very high	98.4	Very high	19 Å²	19	29 Å²	29	16%	0.157	15%	0.145	C	C	.	.			trans	-66.6	143.7	172.3	0	0	0	0	0	111.5	P196 Y197	P196-A495 HydrophobicContact CG-CB 4.49Å; Y197-A495 HydrophobicContact CD1-CB 4.33Å; Y197-A495 HydrophobicContact CD2-CB 3.63Å; Y197-A495 HydrophobicContact CE1-CB 4.01Å; Y197-A495 HydrophobicContact CE2-CB 3.24Å; Y197-A495 HydrophobicContact CG-CB 4.16Å; Y197-A495 VanDerWaalsContact CZ-CB 3.45Å; Y197-A495 WeakPolarHBondContact O-CA 3.37Å; Y197-A495 WeakPolarHBondContact O-CB 3.36Å
496	F	98.8	Very high	98.5	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.044	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	175.7	-179.7	64.9	-94.3	0	0	0	111	A195 M198 R199 F480 V493 E500 L501 L523 L526	A195-F496 HydrophobicContact CB-CD1 4.2Å; A195-F496 HydrophobicContact CB-CE1 3.9Å; M198-F496 HydrophobicContact CG-CD2 4.23Å; M198-F496 HydrophobicContact CG-CE2 3.91Å; M198-F496 HydrophobicContact CG-CZ 4.37Å; M198-F496 HydrophobicContact SD-CE2 3.85Å; M198-F496 HydrophobicContact SD-CZ 4.31Å; R199-F496 PolarHBondContact N-O 3.5Å; F480-F496 HydrophobicContact CB-CE1 4.42Å; F480-F496 HydrophobicContact CB-CZ 3.94Å; F480-F496 AromaticContact CD1-CE1 3.63Å; F480-F496 HydrophobicContact CD1-CE1 3.63Å; F480-F496 AromaticContact CD1-CZ 3.49Å; F480-F496 HydrophobicContact CD1-CZ 3.49Å; F480-F496 VanDerWaalsContact CD1-CZ 3.49Å; F480-F496 AromaticContact CD2-CZ 3.82Å; F480-F496 HydrophobicContact CD2-CZ 3.82Å; F480-F496 HydrophobicContact CE1-CE1 4.07Å; F480-F496 AromaticContact CE1-CZ 3.92Å; F480-F496 HydrophobicContact CE1-CZ 3.92Å; F480-F496 HydrophobicContact CE2-CZ 4.2Å; F480-F496 HydrophobicContact CG-CE1 4.01Å; F480-F496 HydrophobicContact CG-CE2 4.49Å; F480-F496 AromaticContact CG-CZ 3.44Å; F480-F496 HydrophobicContact CG-CZ 3.44Å; F480-F496 VanDerWaalsContact CG-CZ 3.44Å; F480-F496 HydrophobicContact CZ-CZ 4.26Å; V493-F496 HydrophobicContact CG2-CE1 4.36Å; F496-E500 HydrophobicContact CD2-CB 4.49Å; F496-L501 HydrophobicContact CE2-CD2 3.67Å; F496-L501 HydrophobicContact CE2-CG 4.07Å; F496-L501 HydrophobicContact CZ-CD2 3.97Å; F496-L523 HydrophobicContact CB-CD2 3.75Å; F496-L523 HydrophobicContact CD1-CD2 4.07Å; F496-L523 HydrophobicContact CD2-CD1 3.66Å; F496-L523 HydrophobicContact CD2-CD2 4.09Å; F496-L523 HydrophobicContact CE2-CD1 3.75Å; F496-L523 HydrophobicContact CG-CD1 4.13Å; F496-L523 HydrophobicContact CG-CD2 3.71Å; F496-L523 HydrophobicContact CZ-CD1 4.25Å; F496-L526 HydrophobicContact CE1-CD2 4.18Å; F496-L526 HydrophobicContact CZ-CD2 4.27Å
497	E	98.9	Very high	98.5	Very high	8 Å²	8	28 Å²	28	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.2	-177.5	-60.6	-172.9	151.7	0	0	112.7	R199 I499 E500 R828	R199-E497 HydrophobicContact CB-CG 4.24Å; R199-E497 IonicContact CZ-OE1 2.69Å; R199-E497 VanDerWaalsContact NH1-CD 3.27Å; R199-E497 IonicContact NH1-OE1 3.57Å; R199-E497 PolarHBondContact NH1-OE1 2.91Å; E497-I499 HydrophobicContact CB-CD1 4.44Å; E497-I499 HydrophobicContact CB-CG1 3.91Å; E497-I499 PolarHBondContact O-N 2.94Å; E497-I499 VanDerWaalsContact O-N 3.16Å; E497-E500 HydrophobicContact CB-CG 4.5Å; E497-E500 WeakPolarHBondContact O-CB 3.47Å; E497-E500 WeakPolarHBondContact O-CG 3.5Å; E497-E500 PolarHBondContact O-N 3.1Å; E497-R828 IonicContact OE2-CZ 3.62Å; E497-R828 IonicContact OE2-NE 3.84Å; E497-R828 IonicContact OE2-NH1 2.96Å; E497-R828 PolarHBondContact OE2-NH1 2.91Å
498	N	98.8	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63.8	-21.8	-177.6	71.4	-7.6	0	0	0	114.4	M198 R199 V201 N209 I213 E500 L501	M198-N498 HydrophobicContact CE-CB 3.56Å; M198-N498 HydrophobicContact CG-CB 4.19Å; M198-N498 HydrophobicContact SD-CB 3.62Å; R199-N498 PolarHBondContact O-N 3.07Å; V201-N498 WeakPolarHBondContact CG1-OD1 3.38Å; N209-N498 PolarHBondContact OD1-ND2 3.45Å; I213-N498 HydrophobicContact CD1-CB 4.46Å; I213-N498 HydrophobicContact CG1-CB 3.82Å; N498-E500 PolarHBondContact O-N 3.22Å; N498-L501 WeakPolarHBondContact O-CB 3.2Å; N498-L501 PolarHBondContact O-N 2.85Å; N498-L501 VanDerWaalsContact O-N 3.16Å
499	I	98.9	Very high	98.5	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.3	173.8	65.5	178.4	0	0	0	112.7	V201 G216 Y218 E497 L501 N517	V201-I499 HydrophobicContact CG1-CG2 3.53Å; G216-I499 VanDerWaalsContact CA-O 3.24Å; G216-I499 WeakPolarHBondContact CA-O 2.99Å; Y218-I499 HydrophobicContact CD1-CG2 4.17Å; Y218-I499 HydrophobicContact CE1-CD1 3.66Å; Y218-I499 HydrophobicContact CE1-CG2 4.1Å; Y218-I499 HydrophobicContact CE2-CD1 4.28Å; Y218-I499 VanDerWaalsContact CZ-CD1 3.47Å; Y218-I499 WeakPolarHBondContact OH-CD1 3.19Å; E497-I499 HydrophobicContact CB-CD1 4.44Å; E497-I499 HydrophobicContact CB-CG1 3.91Å; E497-I499 PolarHBondContact O-N 2.94Å; E497-I499 VanDerWaalsContact O-N 3.16Å; I499-L501 VanDerWaalsContact C-N 3.28Å; I499-L501 PolarHBondContact O-N 3.15Å; I499-N517 HydrophobicContact CD1-CB 4.33Å
500	E	98.9	Very high	98.4	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.019	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-74.4	-21	-179.7	-58.2	-63.8	150	0	0	112.1	F496 E497 N498 Y502 N503 T519 S522 L523	F496-E500 HydrophobicContact CD2-CB 4.49Å; E497-E500 HydrophobicContact CB-CG 4.5Å; E497-E500 WeakPolarHBondContact O-CB 3.47Å; E497-E500 WeakPolarHBondContact O-CG 3.5Å; E497-E500 PolarHBondContact O-N 3.1Å; N498-E500 PolarHBondContact O-N 3.22Å; E500-Y502 VanDerWaalsContact C-N 3.33Å; E500-Y502 PolarHBondContact O-N 3.41Å; E500-N503 PolarHBondContact O-N 2.9Å; E500-T519 PolarHBondContact OE1-N 2.75Å; E500-T519 PolarHBondContact OE2-N 3.28Å; E500-S522 PolarHBondContact OE2-OG 3.28Å; E500-L523 HydrophobicContact CB-CD1 3.45Å; E500-L523 VanDerWaalsContact CB-CD1 3.45Å; E500-L523 HydrophobicContact CB-CG 3.88Å; E500-L523 HydrophobicContact CG-CD1 4.47Å
501	L	98.9	Very high	98.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-66.7	-30.7	-174.5	-70.9	-176.6	0	0	0	113.4	M198 I213 V353 F480 F496 N498 I499 N503 V504 M505	M198-L501 HydrophobicContact CE-CD1 4.33Å; M198-L501 HydrophobicContact SD-CD1 3.57Å; M198-L501 VanDerWaalsContact SD-CD1 3.57Å; M198-L501 HydrophobicContact SD-CG 4.17Å; I213-L501 HydrophobicContact CG2-CD1 4.33Å; V353-L501 HydrophobicContact CG2-CD1 3.81Å; F480-L501 HydrophobicContact CD2-CD1 4.25Å; F480-L501 HydrophobicContact CD2-CD2 3.79Å; F480-L501 HydrophobicContact CE2-CD2 3.56Å; F480-L501 HydrophobicContact CZ-CD2 4.4Å; F496-L501 HydrophobicContact CE2-CD2 3.67Å; F496-L501 HydrophobicContact CE2-CG 4.07Å; F496-L501 HydrophobicContact CZ-CD2 3.97Å; N498-L501 WeakPolarHBondContact O-CB 3.2Å; N498-L501 PolarHBondContact O-N 2.85Å; N498-L501 VanDerWaalsContact O-N 3.16Å; I499-L501 VanDerWaalsContact C-N 3.28Å; I499-L501 PolarHBondContact O-N 3.15Å; L501-N503 VanDerWaalsContact C-N 3.3Å; L501-N503 PolarHBondContact O-N 3.22Å; L501-V504 PolarHBondContact O-N 3.28Å; L501-M505 VanDerWaalsContact O-CG 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.42Å; L501-M505 PolarHBondContact O-N 3.12Å
502	Y	98.9	Very high	98.4	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-41.6	179	173.6	-102.3	0	0	0	112.4	A214 G216 I256 T259 E500 M505 C506 P513 A514 N516	A214-Y502 WeakPolarHBondContact O-CD2 3.46Å; G216-Y502 VanDerWaalsContact N-CB 3.3Å; I256-Y502 HydrophobicContact CB-CD2 4.29Å; I256-Y502 HydrophobicContact CB-CE2 4.26Å; I256-Y502 HydrophobicContact CD1-CD2 4.4Å; I256-Y502 HydrophobicContact CD1-CE2 4.19Å; T259-Y502 WeakPolarHBondContact CG2-OH 3.37Å; T259-Y502 PolarHBondContact OG1-OH 2.86Å; E500-Y502 VanDerWaalsContact C-N 3.33Å; E500-Y502 PolarHBondContact O-N 3.41Å; Y502-M505 PolarHBondContact O-N 2.77Å; Y502-C506 PolarHBondContact O-N 2.79Å; Y502-C506 PolarHBondContact O-SG 2.96Å; Y502-P513 HydrophobicContact CD1-CB 4.18Å; Y502-P513 HydrophobicContact CE1-CB 3.6Å; Y502-A514 WeakPolarHBondContact OH-CB 3.31Å; Y502-A514 PolarHBondContact OH-N 3.09Å; Y502-N516 HydrophobicContact CD1-CB 4.05Å; Y502-N516 WeakPolarHBondContact CD1-ND2 3.48Å; Y502-N516 HydrophobicContact CE1-CB 4.31Å
503	N	98.9	Very high	98.4	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-64.7	-44.8	175.4	-68.3	-36.6	0	0	0	111.1	E500 L501 M505 C506 D507 P513 N516 G518	E500-N503 PolarHBondContact O-N 2.9Å; L501-N503 VanDerWaalsContact C-N 3.3Å; L501-N503 PolarHBondContact O-N 3.22Å; N503-M505 PolarHBondContact O-N 3.41Å; N503-C506 WeakPolarHBondContact O-CB 3.3Å; N503-C506 PolarHBondContact O-N 2.66Å; N503-D507 PolarHBondContact O-N 3.29Å; N503-P513 WeakPolarHBondContact OD1-CB 3.28Å; N503-N516 PolarHBondContact ND2-OD1 3.32Å; N503-N516 VanDerWaalsContact ND2-OD1 3.11Å; N503-N516 PolarHBondContact OD1-ND2 3.02Å; N503-N516 PolarHBondContact OD1-OD1 3.18Å; N503-G518 PolarHBondContact ND2-O 3.36Å
504	V	98.8	Very high	98.4	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.024	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176.7	176.7	0	0	0	0	111.2	F487 L501 C506 D507 L508 L523 L527	F487-V504 HydrophobicContact CE1-CG1 4.5Å; L501-V504 PolarHBondContact O-N 3.28Å; V504-C506 VanDerWaalsContact C-N 3.29Å; V504-C506 PolarHBondContact O-N 3.41Å; V504-D507 WeakPolarHBondContact O-CB 3.16Å; V504-D507 PolarHBondContact O-N 3.28Å; V504-D507 VanDerWaalsContact O-N 3.15Å; V504-L508 HydrophobicContact CG1-CD1 4.18Å; V504-L508 HydrophobicContact CG1-CG 4.27Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.4Å; V504-L508 PolarHBondContact O-N 3.48Å; V504-L523 HydrophobicContact CG2-CB 3.61Å; V504-L523 HydrophobicContact CG2-CD1 3.73Å; V504-L523 HydrophobicContact CG2-CG 4.25Å; V504-L527 HydrophobicContact CG1-CD2 4.25Å
505	M	98.8	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176.9	-68.7	-171.9	-65.2	0	0	111.7	L162 I164 I213 I256 I351 L501 Y502 N503 L509	L162-M505 HydrophobicContact CD2-CB 3.8Å; L162-M505 HydrophobicContact CD2-CG 3.8Å; L162-M505 HydrophobicContact CD2-SD 4.33Å; I164-M505 HydrophobicContact CD1-SD 3.34Å; I164-M505 WeakPolarHBondContact CD1-SD 3.37Å; I164-M505 HydrophobicContact CG1-SD 3.82Å; I213-M505 HydrophobicContact CG2-CE 4.28Å; I213-M505 WeakPolarHBondContact O-CE 3.18Å; I256-M505 HydrophobicContact CB-CE 4.36Å; I256-M505 HydrophobicContact CD1-CB 4.09Å; I256-M505 HydrophobicContact CG1-CB 4.19Å; I256-M505 HydrophobicContact CG2-CE 4.39Å; I351-M505 HydrophobicContact CD1-CG 3.78Å; L501-M505 VanDerWaalsContact O-CG 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.42Å; L501-M505 PolarHBondContact O-N 3.12Å; Y502-M505 PolarHBondContact O-N 2.77Å; N503-M505 PolarHBondContact O-N 3.41Å; M505-L509 WeakPolarHBondContact O-CD1 3.5Å; M505-L509 WeakPolarHBondContact O-CG 3.37Å; M505-L509 PolarHBondContact O-N 3.31Å
506	C	98.8	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.6	-45.3	172.7	-68.3	0	0	0	0	111.5	I256 Y502 N503 V504 L508 L509 G510 L511 P513	I256-C506 VanDerWaalsContact CD1-SG 3.57Å; Y502-C506 PolarHBondContact O-N 2.79Å; Y502-C506 PolarHBondContact O-SG 2.96Å; N503-C506 WeakPolarHBondContact O-CB 3.3Å; N503-C506 PolarHBondContact O-N 2.66Å; V504-C506 VanDerWaalsContact C-N 3.29Å; V504-C506 PolarHBondContact O-N 3.41Å; C506-L508 PolarHBondContact O-N 2.99Å; C506-L509 CarbonylContact O-C 3.56Å; C506-L509 PolarHBondContact O-N 3.41Å; C506-L509 VanDerWaalsContact O-N 3.12Å; C506-G510 PolarHBondContact O-N 2.92Å; C506-L511 HydrophobicContact CB-CB 4Å; C506-L511 PolarHBondContact O-N 2.96Å; C506-P513 HydrophobicContact CB-CB 4.12Å
507	D	98.5	Very high	98.6	Very high	15 Å²	15	25.6 Å²	25.6	8%	0.08	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-43.5	179.2	-70.7	-21	0	0	0	112.5	N503 V504 L509 G510 H520 L527 T531	N503-D507 PolarHBondContact O-N 3.29Å; V504-D507 WeakPolarHBondContact O-CB 3.16Å; V504-D507 PolarHBondContact O-N 3.28Å; V504-D507 VanDerWaalsContact O-N 3.15Å; D507-L509 PolarHBondContact O-N 2.85Å; D507-G510 PolarHBondContact O-N 2.58Å; D507-G510 VanDerWaalsContact O-N 3.17Å; D507-H520 VanDerWaalsContact CG-NE2 3.26Å; D507-H520 IonicContact OD1-CD2 3.54Å; D507-H520 IonicContact OD1-CE1 2.72Å; D507-H520 PolarHBondContact OD1-CE1 2.83Å; D507-H520 IonicContact OD1-NE2 2.88Å; D507-H520 PolarHBondContact OD1-NE2 2.89Å; D507-H520 IonicContact OD2-CD2 3.43Å; D507-H520 IonicContact OD2-NE2 3.39Å; D507-H520 PolarHBondContact OD2-NE2 3.48Å; D507-L527 HydrophobicContact CB-CD1 4.42Å; D507-T531 WeakPolarHBondContact CB-OG1 3.32Å
508	L	98.3	Very high	98.6	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-28.8	176.4	-68.8	176.6	0	0	0	112.6	L162 N349 I351 T486 F487 V504 C506 L527	L162-L508 HydrophobicContact CD1-CD1 3.79Å; N349-L508 HydrophobicContact CB-CD1 4.49Å; I351-L508 HydrophobicContact CD1-CD1 3.98Å; T486-L508 HydrophobicContact CG2-CD2 3.46Å; T486-L508 VanDerWaalsContact CG2-CD2 3.46Å; F487-L508 HydrophobicContact CE2-CD1 3.91Å; F487-L508 HydrophobicContact CE2-CD2 4.42Å; F487-L508 HydrophobicContact CZ-CD1 3.74Å; F487-L508 HydrophobicContact CZ-CD2 4.46Å; V504-L508 HydrophobicContact CG1-CD1 4.18Å; V504-L508 HydrophobicContact CG1-CG 4.27Å; V504-L508 VanDerWaalsContact O-CG 3.25Å; V504-L508 WeakPolarHBondContact O-CG 3.4Å; V504-L508 PolarHBondContact O-N 3.48Å; C506-L508 PolarHBondContact O-N 2.99Å; L508-L527 HydrophobicContact CD2-CD2 3.92Å
509	L	97.5	Very high	98.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-100.4	-4.1	-177.9	-67.8	166.6	0	0	0	113	R159 L162 I256 L265 Y298 V299 M505 C506 D507 L511	R159-L509 PolarHBondContact NH1-O 2.87Å; L162-L509 HydrophobicContact CB-CD1 4.42Å; L162-L509 HydrophobicContact CB-CD2 3.84Å; L162-L509 HydrophobicContact CB-CG 4.17Å; L162-L509 HydrophobicContact CD2-CD1 3.95Å; L162-L509 HydrophobicContact CD2-CG 4.24Å; I256-L509 HydrophobicContact CD1-CD1 4.32Å; I256-L509 HydrophobicContact CG1-CD1 4.42Å; L265-L509 HydrophobicContact CD1-CB 4.2Å; L265-L509 HydrophobicContact CD1-CD2 4.4Å; Y298-L509 WeakPolarHBondContact O-CD2 3.34Å; V299-L509 HydrophobicContact CG2-CD1 3.39Å; V299-L509 HydrophobicContact CG2-CD2 4.05Å; V299-L509 HydrophobicContact CG2-CG 4.37Å; M505-L509 WeakPolarHBondContact O-CD1 3.5Å; M505-L509 WeakPolarHBondContact O-CG 3.37Å; M505-L509 PolarHBondContact O-N 3.31Å; C506-L509 CarbonylContact O-C 3.56Å; C506-L509 PolarHBondContact O-N 3.41Å; C506-L509 VanDerWaalsContact O-N 3.12Å; D507-L509 PolarHBondContact O-N 2.85Å; L509-L511 VanDerWaalsContact C-N 3.33Å; L509-L511 HydrophobicContact CB-CD1 3.76Å; L509-L511 HydrophobicContact CB-CG 3.71Å; L509-L511 HydrophobicContact CD1-CD1 3.8Å; L509-L511 HydrophobicContact CG-CD1 4.46Å
510	G	97.1	Very high	98.6	Very high	55 Å²	55	28.1 Å²	28.1	57%	0.567	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	37	-173.3	0	0	0	0	0	113.2	C506 D507	C506-G510 PolarHBondContact O-N 2.92Å; D507-G510 PolarHBondContact O-N 2.58Å; D507-G510 VanDerWaalsContact O-N 3.17Å
511	L	98.1	Very high	98.6	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.063	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-100.9	148	179.3	-62.1	175.9	0	0	0	110.8	I256 T259 A260 Q263 L265 C506 L509 P513	I256-L511 HydrophobicContact CD1-CD1 4.14Å; T259-L511 HydrophobicContact CG2-CD1 4.45Å; A260-L511 HydrophobicContact CB-CD1 4Å; Q263-L511 HydrophobicContact CB-CD2 3.62Å; Q263-L511 HydrophobicContact CG-CD2 4.37Å; L265-L511 HydrophobicContact CD1-CD1 4.38Å; L265-L511 HydrophobicContact CD1-CD2 3.75Å; L265-L511 HydrophobicContact CD1-CG 4.19Å; L265-L511 HydrophobicContact CG-CD2 4.21Å; C506-L511 HydrophobicContact CB-CB 4Å; C506-L511 PolarHBondContact O-N 2.96Å; L509-L511 VanDerWaalsContact C-N 3.33Å; L509-L511 HydrophobicContact CB-CD1 3.76Å; L509-L511 HydrophobicContact CB-CG 3.71Å; L509-L511 HydrophobicContact CD1-CD1 3.8Å; L509-L511 HydrophobicContact CG-CD1 4.46Å; L511-P513 WeakPolarHBondContact O-CD 3.21Å
512	K	98.4	Very high	98.5	Very high	163 Å²	163	28.3 Å²	28.3	71%	0.709	17%	0.171	S	C	*	.	P	Polyproline II helix	trans	-80	120.2	164.5	-173.9	177.7	178.7	-179.8	0	109	Q263	Q263-K512 PolarHBondContact NE2-O 3.19Å
513	P	98.7	Very high	98.5	Very high	26 Å²	26	28.5 Å²	28.5	17%	0.169	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-66.9	147.3	177.2	26.4	-32.7	0	0	0	111.3	Y502 N503 C506 L511	Y502-P513 HydrophobicContact CD1-CB 4.18Å; Y502-P513 HydrophobicContact CE1-CB 3.6Å; N503-P513 WeakPolarHBondContact OD1-CB 3.28Å; C506-P513 HydrophobicContact CB-CB 4.12Å; L511-P513 WeakPolarHBondContact O-CD 3.21Å
514	A	98.8	Very high	98.5	Very high	19 Å²	19	29 Å²	29	16%	0.157	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-68.3	160.6	163.9	0	0	0	0	0	110.4	Q254 Y502 N516	Q254-A514 HydrophobicContact CB-CB 3.98Å; Y502-A514 WeakPolarHBondContact OH-CB 3.31Å; Y502-A514 PolarHBondContact OH-N 3.09Å; A514-N516 PolarHBondContact O-N 3.26Å; A514-N516 PolarHBondContact O-ND2 3.1Å
515	P	98.8	Very high	98.5	Very high	131 Å²	131	31.1 Å²	31.1	85%	0.851	18%	0.184	S	C	*	.	S	Bend	trans	-53.4	126.5	172.6	-25.4	35	0	0	0	111.2
516	N	98.9	Very high	98.5	Very high	34 Å²	34	31 Å²	31	18%	0.182	18%	0.184	C	C	.	.			trans	-147.7	174.2	-175.9	68.4	87.5	0	0	0	110.7	T215 L217 Y502 N503 A514 G518	T215-N516 WeakPolarHBondContact O-CB 3.34Å; L217-N516 HydrophobicContact CD2-CB 4.33Å; Y502-N516 HydrophobicContact CD1-CB 4.05Å; Y502-N516 WeakPolarHBondContact CD1-ND2 3.48Å; Y502-N516 HydrophobicContact CE1-CB 4.31Å; N503-N516 PolarHBondContact ND2-OD1 3.32Å; N503-N516 VanDerWaalsContact ND2-OD1 3.11Å; N503-N516 PolarHBondContact OD1-ND2 3.02Å; N503-N516 PolarHBondContact OD1-OD1 3.18Å; A514-N516 PolarHBondContact O-N 3.26Å; A514-N516 PolarHBondContact O-ND2 3.1Å; N516-G518 WeakPolarHBondContact OD1-CA 3.32Å; N516-G518 PolarHBondContact OD1-N 2.99Å
517	N	98.8	Very high	98.4	Very high	46 Å²	46	31.2 Å²	31.2	25%	0.246	19%	0.185	C	C	.	.	S	Bend	trans	-87.5	-11	-177.2	-60.9	115.4	0	0	0	113.6	G216 L217 Y218 I499	G216-N517 WeakPolarHBondContact O-CB 3.49Å; G216-N517 PolarHBondContact O-N 3.01Å; L217-N517 VanDerWaalsContact CA-OD1 3.23Å; L217-N517 WeakPolarHBondContact CA-OD1 3.11Å; L217-N517 WeakPolarHBondContact CD2-OD1 3.46Å; Y218-N517 HydrophobicContact CD2-CB 3.7Å; Y218-N517 HydrophobicContact CE2-CB 3.67Å; Y218-N517 HydrophobicContact CG-CB 4.43Å; Y218-N517 PolarHBondContact N-OD1 2.91Å; I499-N517 HydrophobicContact CD1-CB 4.33Å
518	G	98.7	Very high	98.3	Very high	12 Å²	12	34 Å²	34	12%	0.124	19%	0.194	C	C	.	.	S	Bend	trans	-68.4	147.3	173.9	0	0	0	0	0	112.2	N503 N516 H520	N503-G518 PolarHBondContact ND2-O 3.36Å; N516-G518 WeakPolarHBondContact OD1-CA 3.32Å; N516-G518 PolarHBondContact OD1-N 2.99Å; G518-H520 PolarHBondContact O-N 2.76Å
519	T	98.8	Very high	98.1	Very high	14 Å²	14	37.4 Å²	37.4	9%	0.086	22%	0.219	C	C	.	.			trans	-92.3	93.7	177.3	-57.3	0	0	0	0	109.9	E500 G521 S522 L852 T856	E500-T519 PolarHBondContact OE1-N 2.75Å; E500-T519 PolarHBondContact OE2-N 3.28Å; T519-G521 PolarHBondContact O-N 3.31Å; T519-S522 WeakPolarHBondContact O-CB 3.34Å; T519-S522 PolarHBondContact O-N 3.43Å; T519-S522 PolarHBondContact O-OG 3.03Å; T519-L852 HydrophobicContact CG2-CB 4.15Å; T519-L852 HydrophobicContact CG2-CD1 4.26Å; T519-L852 HydrophobicContact CG2-CD2 3.78Å; T519-L852 HydrophobicContact CG2-CG 4.28Å; T519-T856 HydrophobicContact CG2-CG2 4.31Å
520	H	98.7	Very high	97.9	Very high	37 Å²	37	39.8 Å²	39.8	17%	0.171	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	123.7	-175.5	-159.5	175.4	0	0	0	111.4	D507 G518 F532 L852	D507-H520 VanDerWaalsContact CG-NE2 3.26Å; D507-H520 IonicContact OD1-CD2 3.54Å; D507-H520 IonicContact OD1-CE1 2.72Å; D507-H520 PolarHBondContact OD1-CE1 2.83Å; D507-H520 IonicContact OD1-NE2 2.88Å; D507-H520 PolarHBondContact OD1-NE2 2.89Å; D507-H520 IonicContact OD2-CD2 3.43Å; D507-H520 IonicContact OD2-NE2 3.39Å; D507-H520 PolarHBondContact OD2-NE2 3.48Å; G518-H520 PolarHBondContact O-N 2.76Å; H520-F532 HydrophobicContact CB-CD1 4.1Å; H520-F532 HydrophobicContact CB-CE1 3.69Å; H520-F532 HydrophobicContact CB-CZ 3.97Å; H520-F532 AromaticContact CD2-CD1 3.42Å; H520-F532 VanDerWaalsContact CD2-CD1 3.42Å; H520-F532 WeakPolarHBondContact CD2-CD1 3.33Å; H520-F532 AromaticContact CD2-CE1 3.94Å; H520-F532 AromaticContact CD2-CG 3.49Å; H520-F532 VanDerWaalsContact CD2-CG 3.49Å; H520-F532 WeakPolarHBondContact CD2-CG 3.5Å; H520-F532 AromaticContact CE1-CD2 3.28Å; H520-F532 WeakPolarHBondContact CE1-CD2 3.23Å; H520-F532 AromaticContact CE1-CE2 3.76Å; H520-F532 AromaticContact CE1-CG 3.45Å; H520-F532 VanDerWaalsContact CE1-CG 3.45Å; H520-F532 WeakPolarHBondContact CE1-CG 3.33Å; H520-F532 AromaticContact CG-CD1 3.53Å; H520-F532 AromaticContact CG-CD2 3.95Å; H520-F532 AromaticContact CG-CE1 3.54Å; H520-F532 AromaticContact CG-CE2 3.97Å; H520-F532 AromaticContact CG-CG 3.73Å; H520-F532 AromaticContact CG-CZ 3.76Å; H520-F532 AromaticContact ND1-CD1 3.96Å; H520-F532 AromaticContact ND1-CD2 3.47Å; H520-F532 WeakPolarHBondContact ND1-CD2 3.37Å; H520-F532 AromaticContact ND1-CE1 3.93Å; H520-F532 AromaticContact ND1-CE2 3.45Å; H520-F532 WeakPolarHBondContact ND1-CE2 3.39Å; H520-F532 AromaticContact ND1-CG 3.72Å; H520-F532 AromaticContact ND1-CZ 3.68Å; H520-F532 VanDerWaalsContact NE2-CB 3.34Å; H520-F532 WeakPolarHBondContact NE2-CB 3.43Å; H520-F532 AromaticContact NE2-CD1 3.78Å; H520-F532 AromaticContact NE2-CD2 3.67Å; H520-F532 AromaticContact NE2-CG 3.3Å; H520-F532 VanDerWaalsContact NE2-CG 3.3Å; H520-F532 WeakPolarHBondContact NE2-CG 3.17Å; H520-F532 WeakPolarHBondContact O-CE1 3.13Å; H520-L852 WeakPolarHBondContact O-CD1 3.41Å
521	G	98.4	Very high	97.6	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-14.7	-175.9	0	0	0	0	0	115.3	T519 L523 N524	T519-G521 PolarHBondContact O-N 3.31Å; G521-L523 PolarHBondContact O-N 2.97Å; G521-N524 WeakPolarHBondContact O-CB 3.24Å; G521-N524 PolarHBondContact O-N 3.21Å; G521-N524 VanDerWaalsContact O-N 3.16Å
522	S	98.6	Very high	97.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-38.3	175	66.9	0	0	0	0	112.1	E500 T519 H525	E500-S522 PolarHBondContact OE2-OG 3.28Å; T519-S522 WeakPolarHBondContact O-CB 3.34Å; T519-S522 PolarHBondContact O-N 3.43Å; T519-S522 PolarHBondContact O-OG 3.03Å; S522-H525 PolarHBondContact O-CE1 3.02Å; S522-H525 VanDerWaalsContact O-CE1 3.31Å; S522-H525 PolarHBondContact O-ND1 3.09Å
523	L	98.7	Very high	97.5	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.6	-179	-62.3	-167.9	0	0	0	114.5	F496 E500 V504 G521 H525 L526	F496-L523 HydrophobicContact CB-CD2 3.75Å; F496-L523 HydrophobicContact CD1-CD2 4.07Å; F496-L523 HydrophobicContact CD2-CD1 3.66Å; F496-L523 HydrophobicContact CD2-CD2 4.09Å; F496-L523 HydrophobicContact CE2-CD1 3.75Å; F496-L523 HydrophobicContact CG-CD1 4.13Å; F496-L523 HydrophobicContact CG-CD2 3.71Å; F496-L523 HydrophobicContact CZ-CD1 4.25Å; E500-L523 HydrophobicContact CB-CD1 3.45Å; E500-L523 VanDerWaalsContact CB-CD1 3.45Å; E500-L523 HydrophobicContact CB-CG 3.88Å; E500-L523 HydrophobicContact CG-CD1 4.47Å; V504-L523 HydrophobicContact CG2-CB 3.61Å; V504-L523 HydrophobicContact CG2-CD1 3.73Å; V504-L523 HydrophobicContact CG2-CG 4.25Å; G521-L523 PolarHBondContact O-N 2.97Å; L523-H525 PolarHBondContact O-N 3.03Å; L523-L526 HydrophobicContact CB-CD1 4.01Å; L523-L526 HydrophobicContact CB-CD2 4.32Å; L523-L526 HydrophobicContact CD1-CD2 4.2Å; L523-L526 HydrophobicContact CD2-CD1 3.94Å; L523-L526 HydrophobicContact CG-CD1 4.44Å; L523-L526 WeakPolarHBondContact O-CB 3.21Å; L523-L526 PolarHBondContact O-N 3.44Å
524	N	98.6	Very high	97.4	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.07	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-54.9	-29.1	175.9	-83.9	-3.3	0	0	0	112.5	G521 L526 L527 P530 F532 S849	G521-N524 WeakPolarHBondContact O-CB 3.24Å; G521-N524 PolarHBondContact O-N 3.21Å; G521-N524 VanDerWaalsContact O-N 3.16Å; N524-L526 PolarHBondContact O-N 3.21Å; N524-L527 PolarHBondContact O-N 2.74Å; N524-L527 VanDerWaalsContact O-N 3.13Å; N524-P530 HydrophobicContact CB-CB 3.95Å; N524-P530 HydrophobicContact CB-CG 3.91Å; N524-P530 WeakPolarHBondContact O-CG 3.4Å; N524-F532 PolarHBondContact ND2-O 2.8Å; N524-S849 PolarHBondContact ND2-OG 3.17Å
525	H	97.9	Very high	97.3	Very high	49 Å²	49	51 Å²	51	23%	0.227	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68.8	-11.2	179.3	66.6	-84.3	0	0	0	114.3	K488 S522 L523	K488-H525 VanDerWaalsContact CD-O 3.32Å; K488-H525 WeakPolarHBondContact CD-O 3.44Å; K488-H525 WeakPolarHBondContact CE-O 3.34Å; K488-H525 PolarHBondContact NZ-O 3.4Å; S522-H525 PolarHBondContact O-CE1 3.02Å; S522-H525 VanDerWaalsContact O-CE1 3.31Å; S522-H525 PolarHBondContact O-ND1 3.09Å; L523-H525 PolarHBondContact O-N 3.03Å
526	L	98.4	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-77.8	-25.3	171.3	-80.6	62.2	0	0	0	112.6	T193 F480 F487 K488 V493 F496 L523 N524	T193-L526 HydrophobicContact CG2-CB 4.2Å; T193-L526 HydrophobicContact CG2-CG 4Å; F480-L526 HydrophobicContact CE1-CD2 3.58Å; F480-L526 HydrophobicContact CE1-CG 4.41Å; F480-L526 HydrophobicContact CZ-CD2 3.6Å; F487-L526 HydrophobicContact CD1-CB 4.49Å; K488-L526 PolarHBondContact N-O 3.09Å; V493-L526 HydrophobicContact CB-CD1 4.16Å; V493-L526 HydrophobicContact CG1-CD1 4Å; V493-L526 HydrophobicContact CG1-CG 4.25Å; V493-L526 HydrophobicContact CG2-CD1 3.99Å; V493-L526 HydrophobicContact CG2-CG 4.23Å; F496-L526 HydrophobicContact CE1-CD2 4.18Å; F496-L526 HydrophobicContact CZ-CD2 4.27Å; L523-L526 HydrophobicContact CB-CD1 4.01Å; L523-L526 HydrophobicContact CB-CD2 4.32Å; L523-L526 HydrophobicContact CD1-CD2 4.2Å; L523-L526 HydrophobicContact CD2-CD1 3.94Å; L523-L526 HydrophobicContact CG-CD1 4.44Å; L523-L526 WeakPolarHBondContact O-CB 3.21Å; L523-L526 PolarHBondContact O-N 3.44Å; N524-L526 PolarHBondContact O-N 3.21Å
527	L	98.3	Very high	97.1	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-100	144	-168.5	-53.6	-178.5	0	0	0	111	T486 F487 K488 V504 D507 L508 N524 P530	T486-L527 HydrophobicContact CG2-CD2 4.41Å; T486-L527 WeakPolarHBondContact O-CA 3.37Å; F487-L527 HydrophobicContact CD1-CD2 4.01Å; F487-L527 HydrophobicContact CE1-CD2 4Å; K488-L527 VanDerWaalsContact CE-O 3.23Å; K488-L527 WeakPolarHBondContact CE-O 3.35Å; V504-L527 HydrophobicContact CG1-CD2 4.25Å; D507-L527 HydrophobicContact CB-CD1 4.42Å; L508-L527 HydrophobicContact CD2-CD2 3.92Å; N524-L527 PolarHBondContact O-N 2.74Å; N524-L527 VanDerWaalsContact O-N 3.13Å; L527-P530 HydrophobicContact CB-CG 4.27Å
528	R	95.9	Very high	97	Very high	73 Å²	73	54.6 Å²	54.6	28%	0.275	28%	0.283	S	S	.	.	S	Bend	trans	-65.1	-44.5	175	179	-174.6	-64.8	-78	2.7	111.2	E147 I148 T486	E147-R528 VanDerWaalsContact CG-NH2 3.25Å; E147-R528 IonicContact OE1-CZ 3.43Å; E147-R528 IonicContact OE1-NH1 3.63Å; E147-R528 PolarHBondContact OE1-NH1 3.38Å; E147-R528 IonicContact OE1-NH2 3.58Å; E147-R528 PolarHBondContact OE1-NH2 3.32Å; I148-R528 PolarHBondContact O-NE 3.45Å; I148-R528 PolarHBondContact O-NH2 2.92Å; T486-R528 PolarHBondContact O-N 3.37Å
529	S	93.6	Very high	97	Very high	83 Å²	83	56.6 Å²	56.6	58%	0.58	29%	0.29	S	S	*	.	S	Bend	trans	-137.2	87.3	-178.3	-58.5	0	0	0	0	109	T531	S529-T531 PolarHBondContact O-N 2.97Å
530	P	93.6	Very high	96.9	Very high	51 Å²	51	59.7 Å²	59.7	33%	0.331	31%	0.308	S	S	.	.			trans	-61.6	127.9	-179.1	-20.5	31.8	0	0	0	111.4	N524 L527	N524-P530 HydrophobicContact CB-CB 3.95Å; N524-P530 HydrophobicContact CB-CG 3.91Å; N524-P530 WeakPolarHBondContact O-CG 3.4Å; L527-P530 HydrophobicContact CB-CG 4.27Å
531	T	92	Very high	96.8	Very high	91 Å²	91	58.6 Å²	58.6	56%	0.558	30%	0.304	S	S	*	.	S	Bend	trans	-79.3	-35.3	177.9	50	0	0	0	0	111.4	D507 S529	D507-T531 WeakPolarHBondContact CB-OG1 3.32Å; S529-T531 PolarHBondContact O-N 2.97Å
532	F	97.2	Very high	96.6	Very high	63 Å²	63	68.4 Å²	68.4	28%	0.276	34%	0.34	S	S	.	.			trans	-84.2	125.7	178.3	-174.2	-105.9	0	0	0	112.5	H520 N524 P534	H520-F532 HydrophobicContact CB-CD1 4.1Å; H520-F532 HydrophobicContact CB-CE1 3.69Å; H520-F532 HydrophobicContact CB-CZ 3.97Å; H520-F532 AromaticContact CD2-CD1 3.42Å; H520-F532 VanDerWaalsContact CD2-CD1 3.42Å; H520-F532 WeakPolarHBondContact CD2-CD1 3.33Å; H520-F532 AromaticContact CD2-CE1 3.94Å; H520-F532 AromaticContact CD2-CG 3.49Å; H520-F532 VanDerWaalsContact CD2-CG 3.49Å; H520-F532 WeakPolarHBondContact CD2-CG 3.5Å; H520-F532 AromaticContact CE1-CD2 3.28Å; H520-F532 WeakPolarHBondContact CE1-CD2 3.23Å; H520-F532 AromaticContact CE1-CE2 3.76Å; H520-F532 AromaticContact CE1-CG 3.45Å; H520-F532 VanDerWaalsContact CE1-CG 3.45Å; H520-F532 WeakPolarHBondContact CE1-CG 3.33Å; H520-F532 AromaticContact CG-CD1 3.53Å; H520-F532 AromaticContact CG-CD2 3.95Å; H520-F532 AromaticContact CG-CE1 3.54Å; H520-F532 AromaticContact CG-CE2 3.97Å; H520-F532 AromaticContact CG-CG 3.73Å; H520-F532 AromaticContact CG-CZ 3.76Å; H520-F532 AromaticContact ND1-CD1 3.96Å; H520-F532 AromaticContact ND1-CD2 3.47Å; H520-F532 WeakPolarHBondContact ND1-CD2 3.37Å; H520-F532 AromaticContact ND1-CE1 3.93Å; H520-F532 AromaticContact ND1-CE2 3.45Å; H520-F532 WeakPolarHBondContact ND1-CE2 3.39Å; H520-F532 AromaticContact ND1-CG 3.72Å; H520-F532 AromaticContact ND1-CZ 3.68Å; H520-F532 VanDerWaalsContact NE2-CB 3.34Å; H520-F532 WeakPolarHBondContact NE2-CB 3.43Å; H520-F532 AromaticContact NE2-CD1 3.78Å; H520-F532 AromaticContact NE2-CD2 3.67Å; H520-F532 AromaticContact NE2-CG 3.3Å; H520-F532 VanDerWaalsContact NE2-CG 3.3Å; H520-F532 WeakPolarHBondContact NE2-CG 3.17Å; H520-F532 WeakPolarHBondContact O-CE1 3.13Å; N524-F532 PolarHBondContact ND2-O 2.8Å; F532-P534 HydrophobicContact CD1-CB 4.33Å; F532-P534 VanDerWaalsContact CE1-CA 3.5Å; F532-P534 HydrophobicContact CE1-CB 3.71Å
533	R	96.6	Very high	96.3	Very high	214 Å²	214	70.5 Å²	70.5	81%	0.808	35%	0.354	S	S	*	.			trans	-108.9	102.9	172.8	-65.1	-176.3	-177.3	-175.8	0.9	108.5
534	P	96.9	Very high	95.8	Very high	22 Å²	22	74.4 Å²	74.4	14%	0.143	37%	0.373	C	S	.	.			trans	-63.9	141.7	-178.8	26.4	-34.1	0	0	0	110.4	F532 Y848 L852	F532-P534 HydrophobicContact CD1-CB 4.33Å; F532-P534 VanDerWaalsContact CE1-CA 3.5Å; F532-P534 HydrophobicContact CE1-CB 3.71Å; P534-Y848 HydrophobicContact CB-CD1 3.67Å; P534-Y848 HydrophobicContact CB-CE1 3.84Å; P534-Y848 HydrophobicContact CG-CD1 3.89Å; P534-L852 HydrophobicContact CB-CD1 3.5Å; P534-L852 HydrophobicContact CG-CD1 3.82Å
535	T	96.4	Very high	94.8	Very high	122 Å²	122	77.6 Å²	77.6	75%	0.748	40%	0.401	S	S	*	.			trans	-112.1	141.4	172.6	51.4	0	0	0	0	109.3	Y848	T535-Y848 VanDerWaalsContact C-CE1 3.44Å; T535-Y848 WeakPolarHBondContact O-CE1 3.3Å
536	M	96.3	Very high	93.4	Very high	67 Å²	67	77.7 Å²	77.7	33%	0.33	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-69.9	132.3	-179.3	-171.8	175.5	-71.5	0	0	109.6	R842 Y848	M536-R842 HydrophobicContact CE-CB 4.2Å; M536-R842 HydrophobicContact CE-CG 4.45Å; M536-R842 WeakPolarHBondContact CE-O 3.3Å; M536-R842 VanDerWaalsContact CG-NH1 3.31Å; M536-R842 HydrophobicContact SD-CB 3.78Å; M536-R842 HydrophobicContact SD-CG 3.81Å; M536-Y848 HydrophobicContact CB-CE1 4.29Å; M536-Y848 HydrophobicContact CE-CD2 4.04Å; M536-Y848 HydrophobicContact CE-CE2 4.15Å; M536-Y848 HydrophobicContact CG-CE2 4.44Å
537	P	96.8	Very high	91.8	Very high	47 Å²	47	83.3 Å²	83.3	31%	0.305	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-54.9	140.6	177.8	-27.2	33.2	0	0	0	111.8	L608 R842 Y848	P537-L608 HydrophobicContact CB-CD1 4.11Å; P537-L608 HydrophobicContact CB-CD2 3.92Å; P537-R842 VanDerWaalsContact O-CZ 3.28Å; P537-R842 PolarHBondContact O-NH1 2.96Å; P537-R842 PolarHBondContact O-NH2 3.2Å; P537-Y848 WeakPolarHBondContact CD-OH 3.37Å
538	E	97.1	Very high	90	Very high	172 Å²	172	90.1 Å²	90.1	80%	0.804	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-72.1	138.3	174.2	-66.3	-170.3	171.4	0	0	110.6	V540 L608	E538-V540 PolarHBondContact O-N 3.21Å; E538-L608 WeakPolarHBondContact O-CD2 3.26Å
539	E	97.3	Very high	88.3	Confident	54 Å²	54	89.5 Å²	89.5	25%	0.252	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-72.5	125.2	174.5	179	165.9	-128.1	0	0	110	S541 R604 A606 V607 Y613	E539-S541 VanDerWaalsContact CG-O 3.23Å; E539-S541 WeakPolarHBondContact CG-O 3.44Å; E539-R604 IonicContact OE1-CZ 3.16Å; E539-R604 IonicContact OE1-NH1 3.45Å; E539-R604 PolarHBondContact OE1-NH1 3.28Å; E539-R604 IonicContact OE1-NH2 2.9Å; E539-R604 PolarHBondContact OE1-NH2 3.16Å; E539-R604 IonicContact OE2-CZ 2.87Å; E539-R604 IonicContact OE2-NH2 2.72Å; E539-R604 PolarHBondContact OE2-NH2 3.03Å; E539-A606 HydrophobicContact CB-CB 3.96Å; E539-A606 HydrophobicContact CG-CB 4.03Å; E539-A606 WeakPolarHBondContact OE1-CA 3.5Å; E539-V607 PolarHBondContact OE1-N 3.14Å; E539-Y613 PolarHBondContact OE1-OH 2.9Å
540	V	97.6	Very high	86.3	Confident	79 Å²	79	90.9 Å²	90.9	48%	0.479	49%	0.485	S	S	.	.	S	Bend	trans	-84.5	-41.5	-176.8	174.9	0	0	0	0	111.3	E538 V607 L608 R610	E538-V540 PolarHBondContact O-N 3.21Å; V540-V607 PolarHBondContact N-O 3.13Å; V540-L608 WeakPolarHBondContact CG2-O 3.46Å; V540-R610 HydrophobicContact CG1-CG 4.07Å
541	S	96.1	Very high	84.3	Confident	13 Å²	13	96.5 Å²	96.5	9%	0.091	51%	0.508	C	S	.	.	B	Isolated β-bridge	trans	-116.6	124.4	-179.9	-62	0	0	0	0	110.4	E539 V607 F609 R610 A611 Y613	E539-S541 VanDerWaalsContact CG-O 3.23Å; E539-S541 WeakPolarHBondContact CG-O 3.44Å; S541-V607 PolarHBondContact N-O 2.71Å; S541-F609 WeakPolarHBondContact CB-O 3.47Å; S541-F609 PolarHBondContact OG-O 2.91Å; S541-R610 WeakPolarHBondContact OG-CA 3.44Å; S541-A611 PolarHBondContact OG-N 3.36Å; S541-A611 PolarHBondContact OG-O 2.64Å; S541-Y613 WeakPolarHBondContact O-CE1 3.33Å; S541-Y613 PolarHBondContact O-OH 3.09Å; S541-Y613 VanDerWaalsContact O-OH 3.07Å
542	R	94	Very high	82.3	Confident	210 Å²	210	94.9 Å²	94.9	79%	0.792	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-88.5	149	171.1	-67.2	-176.2	-177	-176.6	1.5	109.9
543	P	92.3	Very high	80.1	Confident	48 Å²	48	98.7 Å²	98.7	31%	0.312	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-66.9	143.2	178.4	28	-33.4	0	0	0	111.4	Y613 I615	P543-Y613 WeakPolarHBondContact CA-O 3.32Å; P543-Y613 HydrophobicContact CB-CD2 4.29Å; P543-Y613 HydrophobicContact CB-CE2 3.71Å; P543-Y613 WeakPolarHBondContact CD-OH 3.19Å; P543-I615 HydrophobicContact CB-CD1 4.39Å; P543-I615 HydrophobicContact CB-CG1 3.68Å; P543-I615 HydrophobicContact CG-CG1 4.13Å
544	M	89.4	Confident	78.3	Confident	87 Å²	87	93.7 Å²	93.7	43%	0.429	52%	0.522	S	S	.	.	B	Isolated β-bridge	trans	-74	154.4	172.9	-66.9	175.8	55.4	0	0	111	S546 K612 Y613	M544-S546 PolarHBondContact O-N 3.23Å; M544-K612 HydrophobicContact SD-CB 4.03Å; M544-K612 HydrophobicContact SD-CG 4.29Å; M544-Y613 PolarHBondContact N-O 3.28Å
545	A	78.2	Confident	77.3	Confident	81 Å²	81	99.3 Å²	99.3	67%	0.669	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-71.1	126.2	176.5	0	0	0	0	0	110.5	N547	A545-N547 PolarHBondContact O-N 2.86Å
546	S	68.3	Low	76.6	Confident	51 Å²	51	94.5 Å²	94.5	36%	0.357	52%	0.52	S	S	.	.			trans	-77	101	173.2	175.6	0	0	0	0	109.9	M544	M544-S546 PolarHBondContact O-N 3.23Å
547	N	64.7	Low	76	Confident	117 Å²	117	92 Å²	92	63%	0.626	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-101.9	148.2	170.9	-69.3	-28.3	0	0	0	110.4	A545 V549	A545-N547 PolarHBondContact O-N 2.86Å; N547-V549 PolarHBondContact O-N 2.7Å
548	L	60.7	Low	75.4	Confident	147 Å²	147	91 Å²	91	77%	0.77	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-67.3	123.6	170.5	-70.7	169.4	0	0	0	108.6	R661	L548-R661 HydrophobicContact CD2-CG 4.46Å
549	V	58.3	Low	74.6	Confident	60 Å²	60	87.3 Å²	87.3	36%	0.364	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-96.6	138.2	177.7	-172.9	0	0	0	0	108.1	N547 M551 A660 P663	N547-V549 PolarHBondContact O-N 2.7Å; V549-M551 PolarHBondContact O-N 3.11Å; V549-A660 PolarHBondContact N-O 3.39Å; V549-P663 HydrophobicContact CG1-CG 4.3Å; V549-P663 HydrophobicContact CG2-CG 4.1Å
550	P	53.6	Low	73.7	Confident	113 Å²	113	85.8 Å²	85.8	73%	0.734	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-53.8	131.8	171.7	-22.3	32.1	0	0	0	109.9	A552	P550-A552 PolarHBondContact O-N 3.09Å
551	M	50.6	Low	72	Confident	169 Å²	169	87 Å²	87	83%	0.833	49%	0.49	S	S	*	.			trans	-58.5	104.1	177	-79.9	-178.9	67.4	0	0	109.5	V549	V549-M551 PolarHBondContact O-N 3.11Å
552	A	50.5	Low	70.2	Confident	56 Å²	56	90.4 Å²	90.4	46%	0.463	51%	0.505	S	S	.	.			trans	-74.1	145.1	163.7	0	0	0	0	0	108.9	P550 D554 P664	P550-A552 PolarHBondContact O-N 3.09Å; A552-D554 PolarHBondContact O-N 2.69Å; A552-D554 VanDerWaalsContact O-N 3.13Å; A552-P664 HydrophobicContact CB-CG 4.41Å
553	T	51.1	Low	67.9	Low	143 Å²	143	90.2 Å²	90.2	88%	0.877	51%	0.51	S	S	*	.			trans	-81.1	23.9	-170.1	48.4	0	0	0	0	114.5	D555	T553-D555 PolarHBondContact O-N 3.31Å
554	D	58	Low	65.6	Low	109 Å²	109	92.8 Å²	92.8	58%	0.583	52%	0.524	S	S	*	.			trans	-78.5	115.3	178.4	-74.1	-19.5	0	0	0	109.9	A552 L556 P664	A552-D554 PolarHBondContact O-N 2.69Å; A552-D554 VanDerWaalsContact O-N 3.13Å; D554-L556 PolarHBondContact O-N 2.92Å; D554-P664 HydrophobicContact CB-CB 3.78Å; D554-P664 HydrophobicContact CB-CG 4.21Å
555	D	75.6	Confident	63.5	Low	141 Å²	141	90 Å²	90	75%	0.754	51%	0.514	S	S	*	.			trans	-73.7	105.3	178.6	-178.4	15.4	0	0	0	110.7	T553 G557	T553-D555 PolarHBondContact O-N 3.31Å; D555-G557 PolarHBondContact O-N 3.21Å; D555-G557 WeakPolarHBondContact OD1-CA 3.32Å; D555-G557 PolarHBondContact OD1-N 3.13Å
556	L	82.1	Confident	61.6	Low	20 Å²	20	89.6 Å²	89.6	11%	0.105	51%	0.51	C	S	.	.			trans	-73.1	2.2	174.4	-58.8	178.2	0	0	0	112.8	D554 C558 P658 P664 S669 C670 I702	D554-L556 PolarHBondContact O-N 2.92Å; L556-C558 PolarHBondContact O-N 3.01Å; L556-C558 VanDerWaalsContact O-N 3.13Å; L556-C558 PolarHBondContact O-SG 2.97Å; L556-P658 HydrophobicContact CD1-CB 4.28Å; L556-P658 HydrophobicContact CD1-CG 4.44Å; L556-P664 HydrophobicContact CD2-CB 4.15Å; L556-S669 PolarHBondContact O-OG 2.86Å; L556-S669 VanDerWaalsContact O-OG 3.09Å; L556-C670 WeakPolarHBondContact O-CB 3.31Å; L556-C670 PolarHBondContact O-N 2.84Å; L556-I702 HydrophobicContact CD1-CD1 4.06Å
557	G	83.4	Confident	60.2	Low	14 Å²	14	95.4 Å²	95.4	14%	0.144	53%	0.531	C	S	.	.			trans	66.7	12.6	179.6	0	0	0	0	0	114.1	D555 R674	D555-G557 PolarHBondContact O-N 3.21Å; D555-G557 WeakPolarHBondContact OD1-CA 3.32Å; D555-G557 PolarHBondContact OD1-N 3.13Å; G557-R674 PolarHBondContact O-NH1 3.05Å; G557-R674 PolarHBondContact O-NH2 2.74Å
558	C	85.4	Confident	59.1	Low	26 Å²	26	99.6 Å²	99.6	18%	0.176	54%	0.539	C	S	.	.			trans	-84.1	136.5	-177.5	-59.1	0	0	0	0	110.5	L556 V656 C670	L556-C558 PolarHBondContact O-N 3.01Å; L556-C558 VanDerWaalsContact O-N 3.13Å; L556-C558 PolarHBondContact O-SG 2.97Å; C558-V656 HydrophobicContact CB-CB 4.28Å; C558-V656 HydrophobicContact CB-CG1 4.48Å; C558-V656 WeakPolarHBondContact CB-O 3.4Å; C558-C670 WeakPolarHBondContact CA-SG 3.32Å; C558-C670 HydrophobicContact CB-CB 3.89Å; C558-C670 WeakPolarHBondContact CB-SG 3.37Å; C558-C670 WeakPolarHBondContact SG-CB 3.29Å; C558-C670 CovalentContact SG-SG 2.04Å; C558-C670 PolarHBondContact SG-SG 3.43Å
559	N	80.2	Confident	58.2	Low	95 Å²	95	97.2 Å²	97.2	51%	0.508	53%	0.526	S	S	.	.			trans	-116.9	140.2	178	-170.3	18	0	0	0	110.1	C655 V656	N559-C655 WeakPolarHBondContact O-CA 3.48Å; N559-V656 PolarHBondContact O-N 3.09Å
560	C	77.3	Confident	57.2	Low	23 Å²	23	102 Å²	102	16%	0.155	54%	0.542	C	S	.	.			trans	-151.5	121.4	168.5	-162.5	0	0	0	0	107.7	E562 C655 R657	C560-E562 VanDerWaalsContact C-N 3.33Å; C560-E562 PolarHBondContact O-N 2.86Å; C560-C655 HydrophobicContact CB-CB 3.9Å; C560-C655 WeakPolarHBondContact CB-SG 3.21Å; C560-C655 WeakPolarHBondContact SG-CB 3.12Å; C560-C655 CovalentContact SG-SG 2.02Å; C560-C655 PolarHBondContact SG-SG 2.82Å; C560-R657 HydrophobicContact CB-CG 3.93Å
561	D	63.4	Low	56.5	Low	103 Å²	103	101.9 Å²	101.9	55%	0.551	54%	0.539	S	S	*	.			trans	-69.4	88.1	-177.2	-79.4	-29.7	0	0	0	110.7	K563	D561-K563 VanDerWaalsContact C-N 3.28Å; D561-K563 PolarHBondContact O-N 2.97Å
562	E	57.7	Low	55.9	Low	85 Å²	85	101.4 Å²	101.4	40%	0.397	53%	0.532	S	S	.	.			trans	-80.2	67.2	175.7	-71.4	-154.4	173.4	0	0	111.6	C560 V564 S565 R657	C560-E562 VanDerWaalsContact C-N 3.33Å; C560-E562 PolarHBondContact O-N 2.86Å; E562-V564 PolarHBondContact O-N 3.17Å; E562-S565 PolarHBondContact OE2-OG 3.1Å; E562-R657 IonicContact OE1-CZ 3.94Å; E562-R657 IonicContact OE1-NE 2.77Å; E562-R657 PolarHBondContact OE1-NE 3.01Å; E562-R657 IonicContact OE1-NH2 3.05Å; E562-R657 PolarHBondContact OE1-NH2 3.33Å
563	K	45.9	Very low	55.4	Low	206 Å²	206	107.9 Å²	107.9	90%	0.896	55%	0.545	S	S	*	.	S	Bend	trans	-77.5	3.3	169.3	-85.4	-169.2	178.4	178.9	0	114.6	D561	D561-K563 VanDerWaalsContact C-N 3.28Å; D561-K563 PolarHBondContact O-N 2.97Å
564	V	43.8	Very low	54.7	Low	102 Å²	102	108.2 Å²	108.2	62%	0.618	54%	0.541	S	S	*	.	S	Bend	trans	-128.5	-6.3	-169	-171.6	0	0	0	0	115.6	E562	E562-V564 PolarHBondContact O-N 3.17Å
565	S	44.5	Very low	53.8	Low	30 Å²	30	111.8 Å²	111.8	21%	0.21	55%	0.552	C	S	.	*	S	Bend	trans	-108.4	-27.3	-172	99.9	0	0	0	0	115.7	E562 E567 R568 L569	E562-S565 PolarHBondContact OE2-OG 3.1Å; S565-E567 VanDerWaalsContact C-N 3.29Å; S565-E567 PolarHBondContact O-N 3.34Å; S565-R568 PolarHBondContact O-N 3.12Å; S565-L569 PolarHBondContact O-N 3.15Å; S565-L569 WeakPolarHBondContact OG-CD1 3.43Å
566	A	39.2	Very low	52.1	Low	72 Å²	72	111.6 Å²	111.6	60%	0.595	55%	0.55	S	S	*	*	H	α-helix	trans	-63.5	-31.1	-168.6	0	0	0	0	0	113.7
567	E	38.2	Very low	50.1	Low	172 Å²	172	120.3 Å²	120.3	80%	0.804	59%	0.587	S	S	*	*	H	α-helix	trans	-80.8	-26.6	175.2	-73.8	-175.1	157.3	0	0	113.4	S565	S565-E567 VanDerWaalsContact C-N 3.29Å; S565-E567 PolarHBondContact O-N 3.34Å
568	R	41.8	Very low	48.2	Very low	206 Å²	206	124.2 Å²	124.2	78%	0.777	61%	0.612	S	S	*	*	H	α-helix	trans	-85.7	-29.2	178.2	-82.6	-175.7	-180	-167.9	0.9	113.8	S565 K570 V571 K572	S565-R568 PolarHBondContact O-N 3.12Å; R568-K570 VanDerWaalsContact C-N 3.34Å; R568-V571 PolarHBondContact O-N 3.49Å; R568-K572 PolarHBondContact O-N 3.3Å
569	L	41.1	Very low	46.1	Very low	96 Å²	96	129.2 Å²	129.2	50%	0.503	64%	0.637	S	S	.	*	H	α-helix	trans	-71.5	-26.8	175.4	-94.6	149.3	0	0	0	112.9	S565 R573	S565-L569 PolarHBondContact O-N 3.15Å; S565-L569 WeakPolarHBondContact OG-CD1 3.43Å; L569-R573 PolarHBondContact O-N 3.38Å
570	K	38.5	Very low	44.6	Very low	161 Å²	161	131 Å²	131	70%	0.7	65%	0.651	S	S	*	*	H	α-helix	trans	-67.4	-43.9	171.2	-102.3	179.3	173.5	179.7	0	112.1	R568 K572 R573	R568-K570 VanDerWaalsContact C-N 3.34Å; K570-K572 VanDerWaalsContact C-N 3.33Å; K570-K572 PolarHBondContact O-N 2.68Å; K570-R573 PolarHBondContact O-N 2.68Å
571	V	37.6	Very low	43.8	Very low	111 Å²	111	134.1 Å²	134.1	67%	0.673	67%	0.667	S	S	*	*	H	α-helix	trans	-69.2	-28.9	-177.9	-179.2	0	0	0	0	112.7	R568	R568-V571 PolarHBondContact O-N 3.49Å
572	K	38.6	Very low	43.7	Very low	159 Å²	159	138.5 Å²	138.5	69%	0.691	68%	0.681	S	S	*	*	H	α-helix	trans	-81.1	-23	174.3	-100	-177.7	176.6	178.5	0	114.3	R568 K570 L576	R568-K572 PolarHBondContact O-N 3.3Å; K570-K572 VanDerWaalsContact C-N 3.33Å; K570-K572 PolarHBondContact O-N 2.68Å; K572-L576 WeakPolarHBondContact O-CB 3.31Å; K572-L576 PolarHBondContact O-N 3.3Å
573	R	39.1	Very low	44.2	Very low	192 Å²	192	139 Å²	139	73%	0.725	69%	0.689	S	S	*	*	H	α-helix	trans	-72.8	-35.8	179.9	-106	179.2	178.4	157.6	0.6	112.5	L569 K570	L569-R573 PolarHBondContact O-N 3.38Å; K570-R573 PolarHBondContact O-N 2.68Å
574	D	38.3	Very low	45.1	Very low	149 Å²	149	134.4 Å²	134.4	80%	0.797	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-12	-177.9	-66.1	-17.9	0	0	0	113.6
575	F	37.6	Very low	46.3	Very low	184 Å²	184	131.7 Å²	131.7	81%	0.807	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-10	177.4	-144	-94.9	0	0	0	114.1
576	L	39.7	Very low	47.4	Very low	138 Å²	138	135.8 Å²	135.8	72%	0.723	67%	0.671	S	S	*	*	S	Bend	trans	-106.8	24.2	-173.1	-153.1	80.1	0	0	0	113.8	K572	K572-L576 WeakPolarHBondContact O-CB 3.31Å; K572-L576 PolarHBondContact O-N 3.3Å
577	F	41.7	Very low	48.9	Very low	202 Å²	202	135.9 Å²	135.9	89%	0.886	66%	0.661	S	S	*	*	S	Bend	trans	-114.3	13.4	172.5	-137.4	-91.3	0	0	0	113.9
578	S	42.1	Very low	50.6	Low	96 Å²	96	134.9 Å²	134.9	67%	0.671	65%	0.65	S	S	*	*	S	Bend	trans	-145.8	119.8	175.1	-163.5	0	0	0	0	110.8
579	L	41.1	Very low	52.2	Low	132 Å²	132	132.3 Å²	132.3	69%	0.691	64%	0.64	S	S	*	*			trans	73.7	80.1	177.1	-67.1	140.2	0	0	0	117.3	N581	L579-N581 VanDerWaalsContact C-N 3.29Å; L579-N581 PolarHBondContact O-N 3.04Å
580	T	49.9	Very low	53.7	Low	131 Å²	131	132.5 Å²	132.5	80%	0.804	64%	0.641	S	S	*	*			trans	-66.6	88.8	156.3	-30.6	0	0	0	0	109.2
581	N	59.5	Low	55.5	Low	90 Å²	90	133.2 Å²	133.2	48%	0.481	64%	0.639	S	S	.	*			trans	-68.7	134.5	176.2	-85.2	-35.6	0	0	0	110.1	L579 V583 E584 E585	L579-N581 VanDerWaalsContact C-N 3.29Å; L579-N581 PolarHBondContact O-N 3.04Å; N581-V583 PolarHBondContact O-N 3.28Å; N581-E584 PolarHBondContact O-N 2.79Å; N581-E585 PolarHBondContact O-N 2.97Å
582	K	61.9	Low	57.4	Low	195 Å²	195	131.4 Å²	131.4	85%	0.848	62%	0.623	S	S	*	*	H	α-helix	trans	-51	-26.3	175.7	-71.9	-178.6	178.2	176	0	113.4	L586	K582-L586 WeakPolarHBondContact O-CB 3.47Å; K582-L586 PolarHBondContact O-N 2.04Å
583	V	67.5	Low	59.3	Low	95 Å²	95	126.4 Å²	126.4	58%	0.576	61%	0.612	S	S	*	*	H	α-helix	trans	-68	-40.3	176.4	177.8	0	0	0	0	112.4	N581 L586 N587	N581-V583 PolarHBondContact O-N 3.28Å; V583-L586 PolarHBondContact O-N 2.73Å; V583-N587 WeakPolarHBondContact O-CB 3.35Å; V583-N587 PolarHBondContact O-N 2.93Å; V583-N587 PolarHBondContact O-ND2 2.94Å
584	E	65.8	Low	61.1	Low	109 Å²	109	122 Å²	122	51%	0.509	60%	0.602	S	S	.	*	H	α-helix	trans	-69.7	-39.1	177.6	-69.9	-174.6	158.6	0	0	111.5	N581 N587 R588	N581-E584 PolarHBondContact O-N 2.79Å; E584-N587 PolarHBondContact O-N 3.42Å; E584-R588 WeakPolarHBondContact O-CB 3.42Å; E584-R588 PolarHBondContact O-N 3.3Å
585	E	67.8	Low	63.2	Low	46 Å²	46	116.6 Å²	116.6	22%	0.215	57%	0.573	C	S	.	*	H	α-helix	trans	-63.6	-41.4	173.3	176.3	58.8	-171	0	0	111.6	N581 R588 R589	N581-E585 PolarHBondContact O-N 2.97Å; E585-R588 PolarHBondContact O-N 3.3Å; E585-R588 IonicContact OE1-CZ 2.83Å; E585-R588 IonicContact OE1-NH2 3.56Å; E585-R588 PolarHBondContact OE1-NH2 2.65Å; E585-R588 IonicContact OE2-CZ 3.33Å; E585-R588 IonicContact OE2-NE 2.96Å; E585-R588 PolarHBondContact OE2-NE 3.23Å; E585-R588 IonicContact OE2-NH2 2.8Å; E585-R588 PolarHBondContact OE2-NH2 3.32Å; E585-R589 WeakPolarHBondContact O-CG 3.5Å; E585-R589 PolarHBondContact O-N 2.89Å; E585-R589 IonicContact OE1-CZ 3.57Å; E585-R589 IonicContact OE1-NE 3.29Å; E585-R589 PolarHBondContact OE1-NE 2.58Å; E585-R589 IonicContact OE1-NH2 2.96Å; E585-R589 PolarHBondContact OE1-NH2 3.44Å
586	L	67.6	Low	65.3	Low	116 Å²	116	110.3 Å²	110.3	61%	0.607	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-43.7	174.7	-172	69.3	0	0	0	111.6	K582 V583 R588 R589 L590	K582-L586 WeakPolarHBondContact O-CB 3.47Å; K582-L586 PolarHBondContact O-N 2.04Å; V583-L586 PolarHBondContact O-N 2.73Å; L586-R588 VanDerWaalsContact C-N 3.32Å; L586-R588 PolarHBondContact O-N 2.74Å; L586-R589 PolarHBondContact O-N 2.61Å; L586-L590 WeakPolarHBondContact O-CB 3.02Å; L586-L590 PolarHBondContact O-N 3.44Å
587	N	71.4	Confident	67.5	Low	73 Å²	73	107.5 Å²	107.5	39%	0.39	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-38.7	176.2	-76.3	-27	0	0	0	111.9	V583 E584 L590 R591	V583-N587 WeakPolarHBondContact O-CB 3.35Å; V583-N587 PolarHBondContact O-N 2.93Å; V583-N587 PolarHBondContact O-ND2 2.94Å; E584-N587 PolarHBondContact O-N 3.42Å; N587-L590 PolarHBondContact O-N 3.28Å; N587-R591 VanDerWaalsContact O-CG 3.3Å; N587-R591 WeakPolarHBondContact O-CG 3.43Å; N587-R591 PolarHBondContact O-N 3.02Å
588	R	74.3	Confident	69.7	Low	152 Å²	152	102.2 Å²	102.2	57%	0.574	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-48.2	174.6	-174.8	178	72.2	125.5	2.9	111.3	E584 E585 L586 L590 R591 Q592	E584-R588 WeakPolarHBondContact O-CB 3.42Å; E584-R588 PolarHBondContact O-N 3.3Å; E585-R588 PolarHBondContact O-N 3.3Å; E585-R588 IonicContact OE1-CZ 2.83Å; E585-R588 IonicContact OE1-NH2 3.56Å; E585-R588 PolarHBondContact OE1-NH2 2.65Å; E585-R588 IonicContact OE2-CZ 3.33Å; E585-R588 IonicContact OE2-NE 2.96Å; E585-R588 PolarHBondContact OE2-NE 3.23Å; E585-R588 IonicContact OE2-NH2 2.8Å; E585-R588 PolarHBondContact OE2-NH2 3.32Å; L586-R588 VanDerWaalsContact C-N 3.32Å; L586-R588 PolarHBondContact O-N 2.74Å; R588-L590 VanDerWaalsContact C-N 3.33Å; R588-L590 PolarHBondContact O-N 3.45Å; R588-R591 PolarHBondContact O-N 2.62Å; R588-Q592 WeakPolarHBondContact O-CB 3.35Å; R588-Q592 PolarHBondContact O-N 2.93Å
589	R	74.9	Confident	72.2	Confident	151 Å²	151	97.7 Å²	97.7	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-62.1	-39.9	176.4	-71.7	177.4	-171.3	-166.4	1.5	112.4	E585 L586 Q592 A593	E585-R589 WeakPolarHBondContact O-CG 3.5Å; E585-R589 PolarHBondContact O-N 2.89Å; E585-R589 IonicContact OE1-CZ 3.57Å; E585-R589 IonicContact OE1-NE 3.29Å; E585-R589 PolarHBondContact OE1-NE 2.58Å; E585-R589 IonicContact OE1-NH2 2.96Å; E585-R589 PolarHBondContact OE1-NH2 3.44Å; L586-R589 PolarHBondContact O-N 2.61Å; R589-Q592 PolarHBondContact O-N 2.85Å; R589-A593 WeakPolarHBondContact O-CB 3.36Å; R589-A593 PolarHBondContact O-N 3.31Å
590	L	72.4	Confident	74.7	Confident	100 Å²	100	92.5 Å²	92.5	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-45.8	177.3	-177.9	62.9	0	0	0	111.4	L586 N587 R588 Q592 A593 I594	L586-L590 WeakPolarHBondContact O-CB 3.02Å; L586-L590 PolarHBondContact O-N 3.44Å; N587-L590 PolarHBondContact O-N 3.28Å; R588-L590 VanDerWaalsContact C-N 3.33Å; R588-L590 PolarHBondContact O-N 3.45Å; L590-Q592 PolarHBondContact O-N 2.77Å; L590-A593 PolarHBondContact O-N 2.87Å; L590-I594 HydrophobicContact CD1-CD1 4.43Å; L590-I594 HydrophobicContact CG-CD1 4.12Å; L590-I594 VanDerWaalsContact O-CG1 3.3Å; L590-I594 WeakPolarHBondContact O-CG1 3.41Å; L590-I594 PolarHBondContact O-N 2.82Å
591	R	76.9	Confident	76.8	Confident	176 Å²	176	88 Å²	88	66%	0.664	43%	0.428	S	S	*	.	H	α-helix	trans	-59.8	-45.8	175.1	-73.1	176.7	-169.5	-164.2	3.7	111.7	N587 R588 A593 I594 D595	N587-R591 VanDerWaalsContact O-CG 3.3Å; N587-R591 WeakPolarHBondContact O-CG 3.43Å; N587-R591 PolarHBondContact O-N 3.02Å; R588-R591 PolarHBondContact O-N 2.62Å; R591-A593 VanDerWaalsContact C-N 3.33Å; R591-A593 PolarHBondContact O-N 2.75Å; R591-I594 PolarHBondContact O-N 2.85Å; R591-D595 PolarHBondContact O-N 3.45Å
592	Q	77.9	Confident	78.4	Confident	73 Å²	73	84.5 Å²	84.5	34%	0.341	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-42.8	176.1	-172.5	176	2.7	0	0	111.8	R588 R589 L590 I594 D595 D596 H617	R588-Q592 WeakPolarHBondContact O-CB 3.35Å; R588-Q592 PolarHBondContact O-N 2.93Å; R589-Q592 PolarHBondContact O-N 2.85Å; L590-Q592 PolarHBondContact O-N 2.77Å; Q592-I594 VanDerWaalsContact C-N 3.33Å; Q592-I594 PolarHBondContact O-N 3.12Å; Q592-D595 PolarHBondContact O-N 3.36Å; Q592-D596 VanDerWaalsContact O-CB 3.27Å; Q592-D596 WeakPolarHBondContact O-CB 3.47Å; Q592-D596 PolarHBondContact O-N 3.43Å; Q592-H617 PolarHBondContact NE2-CD2 2.95Å; Q592-H617 PolarHBondContact NE2-CE1 3.29Å; Q592-H617 VanDerWaalsContact NE2-CE1 3.32Å; Q592-H617 PolarHBondContact NE2-NE2 3.22Å; Q592-H617 VanDerWaalsContact NE2-NE2 3.15Å
593	A	77.7	Confident	79.9	Confident	55 Å²	55	76 Å²	76	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-63.9	-36.6	176.6	0	0	0	0	0	113	R589 L590 R591 S597	R589-A593 WeakPolarHBondContact O-CB 3.36Å; R589-A593 PolarHBondContact O-N 3.31Å; L590-A593 PolarHBondContact O-N 2.87Å; R591-A593 VanDerWaalsContact C-N 3.33Å; R591-A593 PolarHBondContact O-N 2.75Å; A593-S597 WeakPolarHBondContact O-CB 3.19Å; A593-S597 PolarHBondContact O-N 2.85Å
594	I	78.1	Confident	81.2	Confident	98 Å²	98	74.6 Å²	74.6	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-66.3	-48.9	174.8	-68.6	164.5	0	0	0	110.4	L590 R591 Q592 D596 S597 R598	L590-I594 HydrophobicContact CD1-CD1 4.43Å; L590-I594 HydrophobicContact CG-CD1 4.12Å; L590-I594 VanDerWaalsContact O-CG1 3.3Å; L590-I594 WeakPolarHBondContact O-CG1 3.41Å; L590-I594 PolarHBondContact O-N 2.82Å; R591-I594 PolarHBondContact O-N 2.85Å; Q592-I594 VanDerWaalsContact C-N 3.33Å; Q592-I594 PolarHBondContact O-N 3.12Å; I594-D596 VanDerWaalsContact C-N 3.32Å; I594-D596 PolarHBondContact O-N 3.39Å; I594-S597 PolarHBondContact O-N 3.02Å; I594-R598 WeakPolarHBondContact O-CB 3.15Å; I594-R598 PolarHBondContact O-N 2.75Å
595	D	81.1	Confident	82.7	Confident	37 Å²	37	69.6 Å²	69.6	20%	0.198	34%	0.337	C	S	.	.	H	α-helix	trans	-63.4	-39.3	179.4	-68.4	-19.9	0	0	0	111.3	R591 Q592 R598 N599	R591-D595 PolarHBondContact O-N 3.45Å; Q592-D595 PolarHBondContact O-N 3.36Å; D595-R598 PolarHBondContact O-N 2.65Å; D595-N599 WeakPolarHBondContact O-CB 3.16Å; D595-N599 PolarHBondContact O-N 3.3Å; D595-N599 PolarHBondContact O-ND2 3.11Å
596	D	82.4	Confident	84.2	Confident	51 Å²	51	67.4 Å²	67.4	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-63.9	-45.5	174.2	-74.5	2.1	0	0	0	111.6	Q592 I594 R598 L600 H617 I622	Q592-D596 VanDerWaalsContact O-CB 3.27Å; Q592-D596 WeakPolarHBondContact O-CB 3.47Å; Q592-D596 PolarHBondContact O-N 3.43Å; I594-D596 VanDerWaalsContact C-N 3.32Å; I594-D596 PolarHBondContact O-N 3.39Å; D596-R598 PolarHBondContact O-N 2.75Å; D596-L600 CarbonylContact O-C 3.51Å; D596-L600 WeakPolarHBondContact O-CA 3.39Å; D596-L600 WeakPolarHBondContact O-CB 3.24Å; D596-L600 PolarHBondContact O-N 2.64Å; D596-H617 IonicContact OD1-CE1 2.98Å; D596-H617 PolarHBondContact OD1-CE1 2.9Å; D596-H617 IonicContact OD1-ND1 3.01Å; D596-H617 PolarHBondContact OD1-ND1 3.4Å; D596-H617 IonicContact OD2-CE1 2.9Å; D596-I622 HydrophobicContact CB-CD1 4.42Å; D596-I622 WeakPolarHBondContact OD1-CD1 3.48Å
597	S	84.6	Confident	85.6	Confident	79 Å²	79	61.9 Å²	61.9	55%	0.552	30%	0.298	S	S	*	.	H	α-helix	trans	-61.8	-35.1	176.8	-170.8	0	0	0	0	111.9	A593 I594	A593-S597 WeakPolarHBondContact O-CB 3.19Å; A593-S597 PolarHBondContact O-N 2.85Å; I594-S597 PolarHBondContact O-N 3.02Å
598	R	89	Confident	86.9	Confident	92 Å²	92	61.1 Å²	61.1	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-77.5	-48.5	-179.9	-178.8	-179.9	172.8	-169	-4.7	112.4	I594 D595 D596 T638	I594-R598 WeakPolarHBondContact O-CB 3.15Å; I594-R598 PolarHBondContact O-N 2.75Å; D595-R598 PolarHBondContact O-N 2.65Å; D596-R598 PolarHBondContact O-N 2.75Å; R598-T638 VanDerWaalsContact O-CB 3.26Å; R598-T638 WeakPolarHBondContact O-CB 3.41Å; R598-T638 PolarHBondContact O-OG1 3.39Å
599	N	93.3	Very high	88	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-96.6	-13.1	-169.7	-66	-41.8	0	0	0	113.5	D595 P601 S619 D620 I622 S636 T638 N735	D595-N599 WeakPolarHBondContact O-CB 3.16Å; D595-N599 PolarHBondContact O-N 3.3Å; D595-N599 PolarHBondContact O-ND2 3.11Å; N599-P601 VanDerWaalsContact C-CD 3.42Å; N599-S619 PolarHBondContact ND2-O 2.92Å; N599-D620 PolarHBondContact OD1-O 3.13Å; N599-I622 HydrophobicContact CB-CD1 3.96Å; N599-I622 HydrophobicContact CB-CG1 4.12Å; N599-S636 VanDerWaalsContact O-CB 3.3Å; N599-S636 WeakPolarHBondContact O-CB 3.45Å; N599-S636 PolarHBondContact O-OG 3.29Å; N599-T638 PolarHBondContact OD1-N 2.86Å; N599-N735 PolarHBondContact O-ND2 2.64Å
600	L	94.1	Very high	88.9	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.126	29%	0.288	C	S	.	.			trans	-129.3	55	171.4	-72	172.4	0	0	0	111.7	D596 Y602 G603 R604 I622 W634	D596-L600 CarbonylContact O-C 3.51Å; D596-L600 WeakPolarHBondContact O-CA 3.39Å; D596-L600 WeakPolarHBondContact O-CB 3.24Å; D596-L600 PolarHBondContact O-N 2.64Å; L600-Y602 PolarHBondContact O-N 3Å; L600-G603 PolarHBondContact O-N 3.34Å; L600-R604 HydrophobicContact CD1-CB 4.37Å; L600-I622 HydrophobicContact CD1-CB 4.19Å; L600-I622 HydrophobicContact CD1-CD1 3.78Å; L600-I622 HydrophobicContact CD1-CG2 3.84Å; L600-I622 HydrophobicContact CG-CB 4.38Å; L600-I622 HydrophobicContact CG-CD1 3.96Å; L600-W634 HydrophobicContact CD1-CH2 4.18Å; L600-W634 HydrophobicContact CD2-CH2 4.08Å; L600-W634 HydrophobicContact CD2-CZ3 3.86Å
601	P	93.6	Very high	90	Very high	35 Å²	35	55.5 Å²	55.5	23%	0.227	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.5	-173.5	26.1	-34.8	0	0	0	113.5	N599 N735	N599-P601 VanDerWaalsContact C-CD 3.42Å; P601-N735 HydrophobicContact CG-CB 4.11Å
602	Y	94.1	Very high	90.8	Very high	17 Å²	17	53.2 Å²	53.2	7%	0.067	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	15.4	-178.5	-40.9	-57.5	0	0	0	113.9	L600 N735 T775 A784 L791 Y841 R842 R843	L600-Y602 PolarHBondContact O-N 3Å; Y602-N735 HydrophobicContact CE2-CB 3.87Å; Y602-T775 HydrophobicContact CD2-CG2 4.07Å; Y602-T775 HydrophobicContact CE1-CG2 4.43Å; Y602-T775 HydrophobicContact CE2-CG2 3.34Å; Y602-A784 PolarHBondContact OH-O 3.11Å; Y602-L791 HydrophobicContact CD1-CD1 3.83Å; Y602-L791 HydrophobicContact CD1-CD2 4.27Å; Y602-L791 HydrophobicContact CE1-CD1 3.92Å; Y602-L791 HydrophobicContact CE1-CD2 3.6Å; Y602-L791 HydrophobicContact CE1-CG 4.43Å; Y602-L791 HydrophobicContact CG-CD1 4.34Å; Y602-Y841 HydrophobicContact CD2-CD1 4.14Å; Y602-Y841 AromaticContact CD2-CE1 3.98Å; Y602-Y841 HydrophobicContact CD2-CE1 3.98Å; Y602-Y841 HydrophobicContact CG-CD1 4.01Å; Y602-Y841 HydrophobicContact CG-CE1 4.31Å; Y602-R842 PolarHBondContact O-N 3.46Å; Y602-R843 CarbonylContact C-O 3.58Å; Y602-R843 VanDerWaalsContact CA-O 3.26Å; Y602-R843 WeakPolarHBondContact CA-O 3.02Å; Y602-R843 PolarHBondContact O-N 2.97Å; Y602-R843 VanDerWaalsContact O-N 3.08Å
603	G	93.3	Very high	91.6	Very high	17 Å²	17	49.8 Å²	49.8	18%	0.175	25%	0.25	C	C	.	.			trans	81.4	160.2	-175.6	0	0	0	0	0	113.5	L600	L600-G603 PolarHBondContact O-N 3.34Å
604	R	94.9	Very high	92.5	Very high	65 Å²	65	47.7 Å²	47.7	25%	0.245	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-65.3	133.5	177.6	-171.9	-178.1	56	78.3	-6.8	110.8	E539 L600 A606 Y613 W634	E539-R604 IonicContact OE1-CZ 3.16Å; E539-R604 IonicContact OE1-NH1 3.45Å; E539-R604 PolarHBondContact OE1-NH1 3.28Å; E539-R604 IonicContact OE1-NH2 2.9Å; E539-R604 PolarHBondContact OE1-NH2 3.16Å; E539-R604 IonicContact OE2-CZ 2.87Å; E539-R604 IonicContact OE2-NH2 2.72Å; E539-R604 PolarHBondContact OE2-NH2 3.03Å; L600-R604 HydrophobicContact CD1-CB 4.37Å; R604-A606 PolarHBondContact O-N 3.32Å; R604-Y613 PolarHBondContact NH1-OH 3.43Å; R604-W634 HydrophobicContact CG-CH2 3.83Å; R604-W634 HydrophobicContact CG-CZ2 3.44Å; R604-W634 VanDerWaalsContact CG-CZ2 3.44Å
605	P	98	Very high	93.2	Very high	4 Å²	4	44 Å²	44	3%	0.026	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-56.4	132	167.9	-23.5	32.6	0	0	0	111.3	W634 L737 L838 D839 L840	P605-W634 HydrophobicContact CG-CD2 3.95Å; P605-W634 HydrophobicContact CG-CE3 4.49Å; P605-W634 HydrophobicContact CG-CG 4.15Å; P605-W634 HydrophobicContact CG-CZ2 4.43Å; P605-L737 HydrophobicContact CG-CD1 3.99Å; P605-L737 HydrophobicContact CG-CD2 3.83Å; P605-L838 HydrophobicContact CB-CB 4.4Å; P605-D839 WeakPolarHBondContact CA-O 3.48Å; P605-L840 HydrophobicContact CB-CD1 4.45Å
606	A	98.1	Very high	93.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.1	174.9	0	0	0	0	0	110.9	E539 R604 L608 L838 D839	E539-A606 HydrophobicContact CB-CB 3.96Å; E539-A606 HydrophobicContact CG-CB 4.03Å; E539-A606 WeakPolarHBondContact OE1-CA 3.5Å; R604-A606 PolarHBondContact O-N 3.32Å; A606-L608 HydrophobicContact CB-CD2 4.4Å; A606-L838 CarbonylContact O-C 3.54Å; A606-L838 VanDerWaalsContact O-CA 3.29Å; A606-L838 WeakPolarHBondContact O-CA 3.23Å; A606-D839 HydrophobicContact CB-CB 4.4Å; A606-D839 PolarHBondContact N-O 3.01Å; A606-D839 PolarHBondContact O-N 3.03Å
607	V	98.2	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.2	177.7	-176.7	0	0	0	0	109.2	E539 V540 S541 F609 A611 Y613 L633 L838	E539-V607 PolarHBondContact OE1-N 3.14Å; V540-V607 PolarHBondContact N-O 3.13Å; S541-V607 PolarHBondContact N-O 2.71Å; V607-F609 VanDerWaalsContact C-N 3.31Å; V607-F609 HydrophobicContact CG1-CD1 3.7Å; V607-F609 HydrophobicContact CG1-CD2 4.45Å; V607-F609 HydrophobicContact CG1-CE1 3.52Å; V607-F609 HydrophobicContact CG1-CE2 4.32Å; V607-F609 HydrophobicContact CG1-CG 4.17Å; V607-F609 HydrophobicContact CG1-CZ 3.85Å; V607-F609 PolarHBondContact O-N 3.19Å; V607-A611 HydrophobicContact CG1-CB 4.12Å; V607-Y613 HydrophobicContact CB-CE1 4.03Å; V607-Y613 HydrophobicContact CG2-CD1 4.23Å; V607-Y613 HydrophobicContact CG2-CE1 3.65Å; V607-Y613 HydrophobicContact CG2-CE2 4.14Å; V607-L633 HydrophobicContact CG2-CD1 4.09Å; V607-L838 HydrophobicContact CG2-CD2 3.98Å
608	L	97.7	Very high	94.5	Very high	57 Å²	57	39.4 Å²	39.4	30%	0.298	18%	0.179	S	C	.	.			trans	-91.1	14.2	-173.5	-54.7	-171.5	0	0	0	114	P537 E538 V540 A606 G837 D839	P537-L608 HydrophobicContact CB-CD1 4.11Å; P537-L608 HydrophobicContact CB-CD2 3.92Å; E538-L608 WeakPolarHBondContact O-CD2 3.26Å; V540-L608 WeakPolarHBondContact CG2-O 3.46Å; A606-L608 HydrophobicContact CB-CD2 4.4Å; L608-G837 WeakPolarHBondContact CB-O 3Å; L608-G837 PolarHBondContact N-O 3.41Å; L608-D839 HydrophobicContact CD1-CB 4.03Å; L608-D839 HydrophobicContact CD2-CB 4.08Å; L608-D839 HydrophobicContact CG-CB 4.16Å
609	F	96.5	Very high	94.4	Very high	32 Å²	32	37 Å²	37	14%	0.14	18%	0.176	C	C	.	.	S	Bend	trans	-136.9	165.7	177.6	62.7	-82.5	0	0	0	110.3	S541 V607 A611 L633 R750 T836	S541-F609 WeakPolarHBondContact CB-O 3.47Å; S541-F609 PolarHBondContact OG-O 2.91Å; V607-F609 VanDerWaalsContact C-N 3.31Å; V607-F609 HydrophobicContact CG1-CD1 3.7Å; V607-F609 HydrophobicContact CG1-CD2 4.45Å; V607-F609 HydrophobicContact CG1-CE1 3.52Å; V607-F609 HydrophobicContact CG1-CE2 4.32Å; V607-F609 HydrophobicContact CG1-CG 4.17Å; V607-F609 HydrophobicContact CG1-CZ 3.85Å; V607-F609 PolarHBondContact O-N 3.19Å; F609-A611 HydrophobicContact CD2-CB 4.02Å; F609-A611 HydrophobicContact CE2-CB 3.64Å; F609-A611 HydrophobicContact CZ-CB 4.31Å; F609-A611 PolarHBondContact O-N 2.84Å; F609-L633 HydrophobicContact CZ-CD1 4.34Å; F609-L633 HydrophobicContact CZ-CD2 4.4Å; F609-R750 VanDerWaalsContact CE1-CD 3.41Å; F609-T836 WeakPolarHBondContact CE1-O 3.21Å
610	R	95.4	Very high	94.3	Very high	232 Å²	232	37.6 Å²	37.6	88%	0.875	18%	0.18	S	C	*	.			trans	-71.4	117.2	177.1	-68.2	-177.8	-179.8	175.6	0.3	109.8	V540 S541	V540-R610 HydrophobicContact CG1-CG 4.07Å; S541-R610 WeakPolarHBondContact OG-CA 3.44Å
611	A	94	Very high	94.4	Very high	21 Å²	21	36.5 Å²	36.5	17%	0.174	17%	0.174	C	C	.	.			trans	-150.3	150.7	-179	0	0	0	0	0	111	S541 V607 F609 Y613	S541-A611 PolarHBondContact OG-N 3.36Å; S541-A611 PolarHBondContact OG-O 2.64Å; V607-A611 HydrophobicContact CG1-CB 4.12Å; F609-A611 HydrophobicContact CD2-CB 4.02Å; F609-A611 HydrophobicContact CE2-CB 3.64Å; F609-A611 HydrophobicContact CZ-CB 4.31Å; F609-A611 PolarHBondContact O-N 2.84Å; A611-Y613 HydrophobicContact CB-CD1 4.42Å
612	K	94.8	Very high	94.5	Very high	128 Å²	128	34.9 Å²	34.9	56%	0.557	16%	0.163	S	C	*	.			trans	-102.5	114.8	167.6	-67.3	-175.5	-178.9	-179.3	0	108.8	M544 E627	M544-K612 HydrophobicContact SD-CB 4.03Å; M544-K612 HydrophobicContact SD-CG 4.29Å; K612-E627 HydrophobicContact CB-CB 4.43Å; K612-E627 PolarHBondContact O-N 3.12Å; K612-E627 VanDerWaalsContact O-N 3.09Å
613	Y	95.4	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156	-177.8	77.4	-80.8	0	0	0	111.8	E539 S541 P543 M544 R604 V607 A611 I615 S624 Y625 L633	E539-Y613 PolarHBondContact OE1-OH 2.9Å; S541-Y613 WeakPolarHBondContact O-CE1 3.33Å; S541-Y613 PolarHBondContact O-OH 3.09Å; S541-Y613 VanDerWaalsContact O-OH 3.07Å; P543-Y613 WeakPolarHBondContact CA-O 3.32Å; P543-Y613 HydrophobicContact CB-CD2 4.29Å; P543-Y613 HydrophobicContact CB-CE2 3.71Å; P543-Y613 WeakPolarHBondContact CD-OH 3.19Å; M544-Y613 PolarHBondContact N-O 3.28Å; R604-Y613 PolarHBondContact NH1-OH 3.43Å; V607-Y613 HydrophobicContact CB-CE1 4.03Å; V607-Y613 HydrophobicContact CG2-CD1 4.23Å; V607-Y613 HydrophobicContact CG2-CE1 3.65Å; V607-Y613 HydrophobicContact CG2-CE2 4.14Å; A611-Y613 HydrophobicContact CB-CD1 4.42Å; Y613-I615 HydrophobicContact CD2-CD1 4.23Å; Y613-I615 HydrophobicContact CE2-CD1 3.85Å; Y613-S624 WeakPolarHBondContact CD2-OG 3.45Å; Y613-S624 WeakPolarHBondContact CE2-OG 3.5Å; Y613-Y625 CarbonylContact C-O 3.59Å; Y613-Y625 WeakPolarHBondContact CA-O 3.41Å; Y613-Y625 VanDerWaalsContact CB-O 3.24Å; Y613-Y625 WeakPolarHBondContact CB-O 3.22Å; Y613-L633 HydrophobicContact CG-CD1 4.48Å
614	T	94.9	Very high	94.8	Very high	11 Å²	11	33.2 Å²	33.2	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.2	-177.4	-61.5	0	0	0	0	110	L616 S624 Y625	T614-L616 HydrophobicContact CG2-CD2 3.99Å; T614-S624 CarbonylContact O-C 3.39Å; T614-Y625 PolarHBondContact N-O 2.83Å; T614-Y625 PolarHBondContact O-N 2.88Å
615	I	94.6	Very high	95	Very high	21 Å²	21	30.2 Å²	30.2	11%	0.108	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.1	172.5	-58.3	-54.9	0	0	0	109.6	P543 Y613 H617 I622 S623 W634	P543-I615 HydrophobicContact CB-CD1 4.39Å; P543-I615 HydrophobicContact CB-CG1 3.68Å; P543-I615 HydrophobicContact CG-CG1 4.13Å; Y613-I615 HydrophobicContact CD2-CD1 4.23Å; Y613-I615 HydrophobicContact CE2-CD1 3.85Å; I615-H617 WeakPolarHBondContact CG2-NE2 3.46Å; I615-I622 HydrophobicContact CG2-CG2 3.71Å; I615-S623 WeakPolarHBondContact CA-O 3.41Å; I615-W634 HydrophobicContact CD1-CH2 4.1Å; I615-W634 HydrophobicContact CD1-CZ2 3.76Å
616	L	93.3	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.4	177.8	-54.9	-179.5	0	0	0	108.9	T614 H618 S623 Y625 R661 V662 T703	T614-L616 HydrophobicContact CG2-CD2 3.99Å; L616-H618 PolarHBondContact O-ND1 3.18Å; L616-S623 PolarHBondContact N-O 2.74Å; L616-S623 PolarHBondContact O-N 2.82Å; L616-Y625 HydrophobicContact CD1-CD2 4.46Å; L616-Y625 HydrophobicContact CD1-CG 4.13Å; L616-R661 HydrophobicContact CD2-CB 4.24Å; L616-V662 HydrophobicContact CD1-CG2 4.25Å; L616-V662 HydrophobicContact CD2-CG2 4.45Å; L616-T703 HydrophobicContact CD1-CG2 3.88Å
617	H	91	Very high	94.6	Very high	60 Å²	60	31.4 Å²	31.4	28%	0.278	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.5	177.2	-63.8	-100.6	0	0	0	110.6	Q592 D596 I615 R661	Q592-H617 PolarHBondContact NE2-CD2 2.95Å; Q592-H617 PolarHBondContact NE2-CE1 3.29Å; Q592-H617 VanDerWaalsContact NE2-CE1 3.32Å; Q592-H617 PolarHBondContact NE2-NE2 3.22Å; Q592-H617 VanDerWaalsContact NE2-NE2 3.15Å; D596-H617 IonicContact OD1-CE1 2.98Å; D596-H617 PolarHBondContact OD1-CE1 2.9Å; D596-H617 IonicContact OD1-ND1 3.01Å; D596-H617 PolarHBondContact OD1-ND1 3.4Å; D596-H617 IonicContact OD2-CE1 2.9Å; I615-H617 WeakPolarHBondContact CG2-NE2 3.46Å; H617-R661 PolarHBondContact O-NH1 2.7Å
618	H	90.2	Very high	94.3	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.046	17%	0.17	C	C	.	.			trans	-140	162.9	170.4	-42.9	82.5	0	0	0	107.9	L616 D620 Y621 R661 D698	L616-H618 PolarHBondContact O-ND1 3.18Å; H618-D620 VanDerWaalsContact C-N 3.3Å; H618-D620 PolarHBondContact O-N 3.18Å; H618-Y621 CarbonylContact C-O 3.59Å; H618-Y621 WeakPolarHBondContact CA-O 3.37Å; H618-Y621 HydrophobicContact CB-CD1 3.88Å; H618-Y621 HydrophobicContact CB-CE1 3.78Å; H618-Y621 HydrophobicContact CB-CG 4.39Å; H618-Y621 VanDerWaalsContact CB-O 3.29Å; H618-Y621 WeakPolarHBondContact CB-O 3.13Å; H618-Y621 AromaticContact CD2-CZ 3.82Å; H618-Y621 AromaticContact CE1-CE2 3.37Å; H618-Y621 WeakPolarHBondContact CE1-CE2 3.37Å; H618-Y621 AromaticContact CE1-CZ 3.45Å; H618-Y621 VanDerWaalsContact CE1-CZ 3.45Å; H618-Y621 PolarHBondContact CE1-OH 3.36Å; H618-Y621 AromaticContact CG-CE1 3.6Å; H618-Y621 AromaticContact CG-CE2 3.94Å; H618-Y621 AromaticContact CG-CZ 3.53Å; H618-Y621 PolarHBondContact N-O 3.35Å; H618-Y621 AromaticContact ND1-CD2 3.6Å; H618-Y621 AromaticContact ND1-CE1 3.76Å; H618-Y621 AromaticContact ND1-CE2 3.21Å; H618-Y621 WeakPolarHBondContact ND1-CE2 3.23Å; H618-Y621 AromaticContact ND1-CZ 3.3Å; H618-Y621 VanDerWaalsContact ND1-CZ 3.3Å; H618-Y621 PolarHBondContact ND1-O 3.11Å; H618-Y621 AromaticContact NE2-CZ 3.78Å; H618-Y621 PolarHBondContact NE2-OH 3.4Å; H618-Y621 VanDerWaalsContact O-O 3.1Å; H618-R661 PolarHBondContact NE2-NH2 3.23Å; H618-D698 HydrophobicContact CB-CB 4.35Å
619	S	86.6	Confident	94.1	Very high	41 Å²	41	33.9 Å²	33.9	29%	0.287	16%	0.162	S	C	.	.	S	Bend	trans	-64.3	-33.8	-177.7	-63	0	0	0	0	113.7	N599	N599-S619 PolarHBondContact ND2-O 2.92Å
620	D	91.8	Very high	94.1	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	17%	0.165	C	C	.	.	S	Bend	trans	-104.5	-11.7	-175.1	-64.2	-19.1	0	0	0	113.8	N599 H618 Y637 Y685 S690 K695	N599-D620 PolarHBondContact OD1-O 3.13Å; H618-D620 VanDerWaalsContact C-N 3.3Å; H618-D620 PolarHBondContact O-N 3.18Å; D620-Y637 WeakPolarHBondContact O-CB 3.22Å; D620-Y685 HydrophobicContact CB-CE1 4.08Å; D620-Y685 HydrophobicContact CB-CE2 4Å; D620-Y685 VanDerWaalsContact CB-CZ 3.48Å; D620-Y685 WeakPolarHBondContact CB-OH 3.36Å; D620-Y685 PolarHBondContact OD2-OH 3.07Å; D620-S690 WeakPolarHBondContact OD2-CA 3.44Å; D620-S690 PolarHBondContact OD2-OG 2.92Å; D620-K695 WeakPolarHBondContact OD1-CD 3.2Å; D620-K695 IonicContact OD1-NZ 2.82Å; D620-K695 PolarHBondContact OD1-NZ 2.92Å; D620-K695 WeakPolarHBondContact OD2-CD 3.2Å
621	Y	95.7	Very high	94.1	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.124	C	C	.	.			trans	-158.7	157.7	-179.6	72.1	-81.5	0	0	0	112.9	H618 T635 S636 Y685 D698 N704	H618-Y621 CarbonylContact C-O 3.59Å; H618-Y621 WeakPolarHBondContact CA-O 3.37Å; H618-Y621 HydrophobicContact CB-CD1 3.88Å; H618-Y621 HydrophobicContact CB-CE1 3.78Å; H618-Y621 HydrophobicContact CB-CG 4.39Å; H618-Y621 VanDerWaalsContact CB-O 3.29Å; H618-Y621 WeakPolarHBondContact CB-O 3.13Å; H618-Y621 AromaticContact CD2-CZ 3.82Å; H618-Y621 AromaticContact CE1-CE2 3.37Å; H618-Y621 WeakPolarHBondContact CE1-CE2 3.37Å; H618-Y621 AromaticContact CE1-CZ 3.45Å; H618-Y621 VanDerWaalsContact CE1-CZ 3.45Å; H618-Y621 PolarHBondContact CE1-OH 3.36Å; H618-Y621 AromaticContact CG-CE1 3.6Å; H618-Y621 AromaticContact CG-CE2 3.94Å; H618-Y621 AromaticContact CG-CZ 3.53Å; H618-Y621 PolarHBondContact N-O 3.35Å; H618-Y621 AromaticContact ND1-CD2 3.6Å; H618-Y621 AromaticContact ND1-CE1 3.76Å; H618-Y621 AromaticContact ND1-CE2 3.21Å; H618-Y621 WeakPolarHBondContact ND1-CE2 3.23Å; H618-Y621 AromaticContact ND1-CZ 3.3Å; H618-Y621 VanDerWaalsContact ND1-CZ 3.3Å; H618-Y621 PolarHBondContact ND1-O 3.11Å; H618-Y621 AromaticContact NE2-CZ 3.78Å; H618-Y621 PolarHBondContact NE2-OH 3.4Å; H618-Y621 VanDerWaalsContact O-O 3.1Å; Y621-T635 HydrophobicContact CD2-CG2 3.69Å; Y621-T635 HydrophobicContact CE2-CG2 4.44Å; Y621-T635 HydrophobicContact CG-CG2 4.35Å; Y621-S636 WeakPolarHBondContact CA-O 3.48Å; Y621-Y685 AromaticContact CD1-CD1 3.31Å; Y621-Y685 HydrophobicContact CD1-CD1 3.31Å; Y621-Y685 AromaticContact CD1-CD2 3.99Å; Y621-Y685 HydrophobicContact CD1-CD2 3.99Å; Y621-Y685 AromaticContact CD1-CE1 3.89Å; Y621-Y685 HydrophobicContact CD1-CE1 3.89Å; Y621-Y685 HydrophobicContact CD1-CE2 4.47Å; Y621-Y685 AromaticContact CD1-CG 3.38Å; Y621-Y685 HydrophobicContact CD1-CG 3.38Å; Y621-Y685 HydrophobicContact CD2-CG 4.38Å; Y621-Y685 AromaticContact CE1-CD1 3.63Å; Y621-Y685 HydrophobicContact CE1-CD1 3.63Å; Y621-Y685 HydrophobicContact CE1-CE1 4.33Å; Y621-Y685 HydrophobicContact CE1-CG 4.02Å; Y621-Y685 HydrophobicContact CG-CD1 4.04Å; Y621-Y685 AromaticContact CG-CD2 4Å; Y621-Y685 HydrophobicContact CG-CD2 4Å; Y621-Y685 AromaticContact CG-CG 3.6Å; Y621-Y685 HydrophobicContact CG-CG 3.6Å; Y621-D698 PolarHBondContact OH-O 2.84Å; Y621-N704 HydrophobicContact CE2-CB 4.41Å
622	I	96.7	Very high	94.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.2	174.8	-59.3	168.8	0	0	0	108.3	D596 N599 L600 I615 W634 T635 S636	D596-I622 HydrophobicContact CB-CD1 4.42Å; D596-I622 WeakPolarHBondContact OD1-CD1 3.48Å; N599-I622 HydrophobicContact CB-CD1 3.96Å; N599-I622 HydrophobicContact CB-CG1 4.12Å; L600-I622 HydrophobicContact CD1-CB 4.19Å; L600-I622 HydrophobicContact CD1-CD1 3.78Å; L600-I622 HydrophobicContact CD1-CG2 3.84Å; L600-I622 HydrophobicContact CG-CB 4.38Å; L600-I622 HydrophobicContact CG-CD1 3.96Å; I615-I622 HydrophobicContact CG2-CG2 3.71Å; I622-W634 HydrophobicContact CG2-CH2 4.2Å; I622-W634 HydrophobicContact CG2-CZ3 4.27Å; I622-T635 CarbonylContact O-C 3.34Å; I622-T635 WeakPolarHBondContact O-CA 3.38Å; I622-S636 PolarHBondContact N-O 2.83Å; I622-S636 PolarHBondContact O-N 3.06Å
623	S	97.5	Very high	94.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.6	-179.5	63.6	0	0	0	0	112.4	I615 L616 W634 T635	I615-S623 WeakPolarHBondContact CA-O 3.41Å; L616-S623 PolarHBondContact N-O 2.74Å; L616-S623 PolarHBondContact O-N 2.82Å; S623-W634 WeakPolarHBondContact CA-O 3.42Å; S623-T635 WeakPolarHBondContact CB-OG1 3.16Å
624	S	96.5	Very high	94.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	95.9	173.6	163.3	0	0	0	0	109.9	Y613 T614 P632 L633 W634	Y613-S624 WeakPolarHBondContact CD2-OG 3.45Å; Y613-S624 WeakPolarHBondContact CE2-OG 3.5Å; T614-S624 CarbonylContact O-C 3.39Å; S624-P632 CarbonylContact O-C 3.47Å; S624-P632 WeakPolarHBondContact O-CA 3.37Å; S624-L633 PolarHBondContact O-N 3.39Å; S624-W634 VanDerWaalsContact CB-CZ2 3.46Å; S624-W634 PolarHBondContact N-O 2.88Å
625	Y	97.4	Very high	94.8	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.7	-176	-168.4	-96.3	0	0	0	112.4	Y613 T614 L616 F630 P632 V662 F666 T703	Y613-Y625 CarbonylContact C-O 3.59Å; Y613-Y625 WeakPolarHBondContact CA-O 3.41Å; Y613-Y625 VanDerWaalsContact CB-O 3.24Å; Y613-Y625 WeakPolarHBondContact CB-O 3.22Å; T614-Y625 PolarHBondContact N-O 2.83Å; T614-Y625 PolarHBondContact O-N 2.88Å; L616-Y625 HydrophobicContact CD1-CD2 4.46Å; L616-Y625 HydrophobicContact CD1-CG 4.13Å; Y625-F630 VanDerWaalsContact CZ-C 3.46Å; Y625-F630 WeakPolarHBondContact OH-CA 3.49Å; Y625-F630 PolarHBondContact OH-O 2.78Å; Y625-P632 HydrophobicContact CD2-CG 4.23Å; Y625-V662 HydrophobicContact CD1-CG1 4.16Å; Y625-V662 HydrophobicContact CD1-CG2 4.05Å; Y625-V662 HydrophobicContact CE1-CG1 3.63Å; Y625-V662 HydrophobicContact CE1-CG2 4.27Å; Y625-F666 VanDerWaalsContact CE1-O 3.31Å; Y625-F666 WeakPolarHBondContact CE1-O 3.25Å; Y625-F666 PolarHBondContact OH-O 3.1Å; Y625-T703 HydrophobicContact CD2-CG2 3.92Å; Y625-T703 WeakPolarHBondContact CD2-O 3.19Å; Y625-T703 HydrophobicContact CE1-CG2 4.48Å; Y625-T703 HydrophobicContact CE2-CG2 3.79Å; Y625-T703 HydrophobicContact CG-CG2 4.32Å
626	S	96.3	Very high	95	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122	175.9	176.7	0	0	0	0	110.8	T628 L629 F630 M631	S626-T628 PolarHBondContact O-N 3.12Å; S626-T628 PolarHBondContact OG-N 3.35Å; S626-T628 PolarHBondContact OG-OG1 3.02Å; S626-L629 PolarHBondContact OG-N 3.45Å; S626-F630 WeakPolarHBondContact O-CA 3.25Å; S626-F630 PolarHBondContact O-N 2.72Å; S626-M631 WeakPolarHBondContact CB-O 3.46Å; S626-M631 PolarHBondContact N-O 3.32Å; S626-M631 PolarHBondContact O-N 3.34Å
627	E	92.6	Very high	95.2	Very high	29 Å²	29	15.9 Å²	15.9	14%	0.136	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.6	174.1	-66.9	-179.2	177.4	0	0	112.1	K612 F666	K612-E627 HydrophobicContact CB-CB 4.43Å; K612-E627 PolarHBondContact O-N 3.12Å; K612-E627 VanDerWaalsContact O-N 3.09Å; E627-F666 HydrophobicContact CB-CB 4.36Å; E627-F666 HydrophobicContact CB-CD1 3.96Å; E627-F666 HydrophobicContact CB-CG 4.18Å; E627-F666 HydrophobicContact CG-CB 4.31Å; E627-F666 HydrophobicContact CG-CD1 4.47Å; E627-F666 HydrophobicContact CG-CG 4.22Å
628	T	91.5	Very high	95.4	Very high	83 Å²	83	13.5 Å²	13.5	51%	0.509	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-29.7	-178.4	56.1	0	0	0	0	113.6	S626	S626-T628 PolarHBondContact O-N 3.12Å; S626-T628 PolarHBondContact OG-N 3.35Å; S626-T628 PolarHBondContact OG-OG1 3.02Å
629	L	94	Very high	95.7	Very high	26 Å²	26	13.4 Å²	13.4	14%	0.136	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.3	178.9	-58.4	175.7	0	0	0	112.2	S626 M631 L633 F742 I756 P765	S626-L629 PolarHBondContact OG-N 3.45Å; L629-M631 HydrophobicContact CB-CG 4.11Å; L629-M631 WeakPolarHBondContact O-CE 3.32Å; L629-M631 PolarHBondContact O-N 3.19Å; L629-M631 VanDerWaalsContact O-N 3.13Å; L629-L633 HydrophobicContact CD1-CD2 3.68Å; L629-F742 HydrophobicContact CD1-CD2 4.48Å; L629-F742 HydrophobicContact CD1-CE2 3.91Å; L629-I756 HydrophobicContact CD2-CD1 4.23Å; L629-P765 HydrophobicContact CB-CG 4.31Å; L629-P765 HydrophobicContact CD2-CG 3.94Å
630	F	95.1	Very high	96	Very high	48 Å²	48	14 Å²	14	21%	0.211	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	24.1	-175.9	-48.6	-77.2	0	0	0	113.5	Y625 S626 Q668	Y625-F630 VanDerWaalsContact CZ-C 3.46Å; Y625-F630 WeakPolarHBondContact OH-CA 3.49Å; Y625-F630 PolarHBondContact OH-O 2.78Å; S626-F630 WeakPolarHBondContact O-CA 3.25Å; S626-F630 PolarHBondContact O-N 2.72Å; F630-Q668 HydrophobicContact CB-CG 3.92Å; F630-Q668 WeakPolarHBondContact O-CG 3.5Å; F630-Q668 PolarHBondContact O-NE2 3.41Å
631	M	96.8	Very high	96.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	165.8	-177.9	70.1	-176.6	73.8	0	0	112.2	S626 L629 V706 P707 P740 F742 V764 P765 P767	S626-M631 WeakPolarHBondContact CB-O 3.46Å; S626-M631 PolarHBondContact N-O 3.32Å; S626-M631 PolarHBondContact O-N 3.34Å; L629-M631 HydrophobicContact CB-CG 4.11Å; L629-M631 WeakPolarHBondContact O-CE 3.32Å; L629-M631 PolarHBondContact O-N 3.19Å; L629-M631 VanDerWaalsContact O-N 3.13Å; M631-V706 HydrophobicContact CB-CG1 4.17Å; M631-V706 HydrophobicContact SD-CG1 4.13Å; M631-P707 HydrophobicContact CE-CG 3.87Å; M631-P740 HydrophobicContact CG-CG 4.28Å; M631-P740 HydrophobicContact SD-CB 4.03Å; M631-P740 HydrophobicContact SD-CG 3.84Å; M631-F742 HydrophobicContact CE-CZ 4.33Å; M631-F742 HydrophobicContact SD-CZ 4.02Å; M631-V764 HydrophobicContact CE-CG1 3.9Å; M631-P765 HydrophobicContact CE-CG 4.2Å; M631-P765 VanDerWaalsContact CE-O 3.23Å; M631-P765 WeakPolarHBondContact CE-O 3.16Å; M631-P767 HydrophobicContact SD-CG 4.2Å
632	P	98.1	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.2	173.9	-23.5	35.6	0	0	0	113.1	S624 Y625 W634 L684 T703 P740	S624-P632 CarbonylContact O-C 3.47Å; S624-P632 WeakPolarHBondContact O-CA 3.37Å; Y625-P632 HydrophobicContact CD2-CG 4.23Å; P632-W634 VanDerWaalsContact C-N 3.28Å; P632-L684 HydrophobicContact CB-CD1 3.73Å; P632-L684 HydrophobicContact CG-CD1 3.9Å; P632-T703 VanDerWaalsContact CD-O 3.28Å; P632-T703 WeakPolarHBondContact CD-O 3.39Å; P632-T703 WeakPolarHBondContact CG-O 3.07Å; P632-P740 WeakPolarHBondContact O-CD 3.41Å; P632-P740 VanDerWaalsContact O-CG 3.29Å; P632-P740 WeakPolarHBondContact O-CG 3.48Å
633	L	98.1	Very high	95.3	Very high	16 Å²	16	27.2 Å²	27.2	8%	0.084	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	-36.3	163.3	-62.3	178.6	0	0	0	110.7	V607 F609 Y613 S624 L629	V607-L633 HydrophobicContact CG2-CD1 4.09Å; F609-L633 HydrophobicContact CZ-CD1 4.34Å; F609-L633 HydrophobicContact CZ-CD2 4.4Å; Y613-L633 HydrophobicContact CG-CD1 4.48Å; S624-L633 PolarHBondContact O-N 3.39Å; L629-L633 HydrophobicContact CD1-CD2 3.68Å
634	W	98.5	Very high	94.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	154.2	175	56.4	-95.8	0	0	0	110.5	L600 R604 P605 I615 I622 S623 S624 P632 L737 V738 F771 L838	L600-W634 HydrophobicContact CD1-CH2 4.18Å; L600-W634 HydrophobicContact CD2-CH2 4.08Å; L600-W634 HydrophobicContact CD2-CZ3 3.86Å; R604-W634 HydrophobicContact CG-CH2 3.83Å; R604-W634 HydrophobicContact CG-CZ2 3.44Å; R604-W634 VanDerWaalsContact CG-CZ2 3.44Å; P605-W634 HydrophobicContact CG-CD2 3.95Å; P605-W634 HydrophobicContact CG-CE3 4.49Å; P605-W634 HydrophobicContact CG-CG 4.15Å; P605-W634 HydrophobicContact CG-CZ2 4.43Å; I615-W634 HydrophobicContact CD1-CH2 4.1Å; I615-W634 HydrophobicContact CD1-CZ2 3.76Å; I622-W634 HydrophobicContact CG2-CH2 4.2Å; I622-W634 HydrophobicContact CG2-CZ3 4.27Å; S623-W634 WeakPolarHBondContact CA-O 3.42Å; S624-W634 VanDerWaalsContact CB-CZ2 3.46Å; S624-W634 PolarHBondContact N-O 2.88Å; P632-W634 VanDerWaalsContact C-N 3.28Å; W634-L737 HydrophobicContact CB-CD1 3.91Å; W634-L737 HydrophobicContact CB-CG 4.25Å; W634-L737 HydrophobicContact CD2-CD1 4.01Å; W634-L737 HydrophobicContact CE3-CD1 3.64Å; W634-L737 HydrophobicContact CG-CD1 4.15Å; W634-V738 CarbonylContact C-O 3.35Å; W634-V738 VanDerWaalsContact CA-O 3.29Å; W634-V738 WeakPolarHBondContact CA-O 3.41Å; W634-F771 HydrophobicContact CB-CZ 4.07Å; W634-L838 HydrophobicContact CB-CD1 4.21Å; W634-L838 HydrophobicContact CG-CD1 4.28Å
635	T	98.7	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.7	170.9	-67.9	0	0	0	0	108.5	Y621 I622 S623 Y637 L684 L737 V738	Y621-T635 HydrophobicContact CD2-CG2 3.69Å; Y621-T635 HydrophobicContact CE2-CG2 4.44Å; Y621-T635 HydrophobicContact CG-CG2 4.35Å; I622-T635 CarbonylContact O-C 3.34Å; I622-T635 WeakPolarHBondContact O-CA 3.38Å; S623-T635 WeakPolarHBondContact CB-OG1 3.16Å; T635-Y637 HydrophobicContact CG2-CD1 4.23Å; T635-L684 HydrophobicContact CG2-CB 4.22Å; T635-L684 WeakPolarHBondContact OG1-CD1 3.47Å; T635-L737 WeakPolarHBondContact O-CA 3.27Å; T635-V738 PolarHBondContact N-O 2.92Å; T635-V738 PolarHBondContact O-N 3.07Å
636	S	98.4	Very high	93.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133	-177.2	-166.8	0	0	0	0	111.4	N599 Y621 I622 L736	N599-S636 VanDerWaalsContact O-CB 3.3Å; N599-S636 WeakPolarHBondContact O-CB 3.45Å; N599-S636 PolarHBondContact O-OG 3.29Å; Y621-S636 WeakPolarHBondContact CA-O 3.48Å; I622-S636 PolarHBondContact N-O 2.83Å; I622-S636 PolarHBondContact O-N 3.06Å; S636-L736 CarbonylContact C-O 3.55Å; S636-L736 VanDerWaalsContact CA-O 3.25Å; S636-L736 WeakPolarHBondContact CA-O 3.49Å
637	Y	97	Very high	93	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	152.7	177.9	58.6	-83	0	0	0	111.7	D620 T635 V639 Y685 L689 N735 L736 V738	D620-Y637 WeakPolarHBondContact O-CB 3.22Å; T635-Y637 HydrophobicContact CG2-CD1 4.23Å; Y637-V639 HydrophobicContact CD2-CG2 3.8Å; Y637-V639 HydrophobicContact CE2-CG2 3.87Å; Y637-Y685 AromaticContact CD1-CD2 3.87Å; Y637-Y685 HydrophobicContact CD1-CD2 3.87Å; Y637-Y685 AromaticContact CD2-CD2 3.89Å; Y637-Y685 HydrophobicContact CD2-CD2 3.89Å; Y637-Y685 HydrophobicContact CD2-CE2 4.01Å; Y637-Y685 HydrophobicContact CE1-CD2 4.36Å; Y637-Y685 HydrophobicContact CE2-CD2 4.37Å; Y637-Y685 AromaticContact CG-CD2 3.61Å; Y637-Y685 HydrophobicContact CG-CD2 3.61Å; Y637-Y685 HydrophobicContact CG-CE2 4.05Å; Y637-L689 HydrophobicContact CD2-CD1 4.28Å; Y637-L689 HydrophobicContact CE2-CD1 3.73Å; Y637-N735 PolarHBondContact O-ND2 3.05Å; Y637-L736 HydrophobicContact CD1-CB 4.28Å; Y637-L736 HydrophobicContact CD2-CB 4.32Å; Y637-L736 HydrophobicContact CD2-CD1 4.11Å; Y637-L736 HydrophobicContact CE1-CB 3.93Å; Y637-L736 HydrophobicContact CE2-CB 3.98Å; Y637-L736 HydrophobicContact CE2-CD1 3.64Å; Y637-L736 HydrophobicContact CE2-CD2 4.38Å; Y637-L736 HydrophobicContact CE2-CG 4.2Å; Y637-L736 HydrophobicContact CG-CB 4.47Å; Y637-L736 PolarHBondContact N-O 2.99Å; Y637-L736 PolarHBondContact O-N 2.81Å; Y637-V738 HydrophobicContact CE1-CG2 4.08Å
638	T	96.3	Very high	92.5	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.7	-178.9	-59.8	0	0	0	0	112	R598 N599 N735 D785	R598-T638 VanDerWaalsContact O-CB 3.26Å; R598-T638 WeakPolarHBondContact O-CB 3.41Å; R598-T638 PolarHBondContact O-OG1 3.39Å; N599-T638 PolarHBondContact OD1-N 2.86Å; T638-N735 PolarHBondContact OG1-ND2 3.24Å; T638-D785 HydrophobicContact CG2-CB 4.29Å
639	V	95.8	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.7	-178.2	-176	0	0	0	0	108.9	Y637 V643 L689 V724 A728 G733 V734 L736	Y637-V639 HydrophobicContact CD2-CG2 3.8Å; Y637-V639 HydrophobicContact CE2-CG2 3.87Å; V639-V643 HydrophobicContact CG1-CB 3.72Å; V639-V643 HydrophobicContact CG1-CG1 3.47Å; V639-V643 VanDerWaalsContact CG1-CG1 3.47Å; V639-V643 HydrophobicContact CG1-CG2 3.97Å; V639-L689 HydrophobicContact CG1-CD2 4.49Å; V639-L689 HydrophobicContact CG2-CD1 3.89Å; V639-V724 HydrophobicContact CB-CG1 4.3Å; V639-V724 HydrophobicContact CG1-CG1 4.21Å; V639-V724 HydrophobicContact CG2-CG1 3.78Å; V639-A728 HydrophobicContact CB-CB 4.22Å; V639-A728 HydrophobicContact CG1-CB 3.68Å; V639-G733 CarbonylContact O-C 3.56Å; V639-G733 WeakPolarHBondContact O-CA 3.5Å; V639-V734 HydrophobicContact CB-CG2 4.27Å; V639-V734 PolarHBondContact N-O 2.04Å; V639-V734 PolarHBondContact O-N 3.24Å; V639-L736 HydrophobicContact CB-CD1 4.33Å; V639-L736 HydrophobicContact CG2-CD1 3.68Å
640	S	94.1	Very high	91.4	Very high	53 Å²	53	51.1 Å²	51.1	37%	0.371	26%	0.262	S	S	.	.			trans	-77.7	164.2	178.8	64.8	0	0	0	0	111.9	Q642 V643	S640-Q642 VanDerWaalsContact C-N 3.27Å; S640-Q642 PolarHBondContact O-N 2.98Å; S640-V643 PolarHBondContact O-N 3.42Å
641	R	93.3	Very high	90.5	Very high	130 Å²	130	51.2 Å²	51.2	49%	0.491	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.4	179.1	-177.5	178.8	178.2	177.1	-0.6	113.1	V643 N732	R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3.44Å; R641-N732 WeakPolarHBondContact CD-OD1 3.29Å
642	Q	89.3	Confident	89.8	Confident	142 Å²	142	51.3 Å²	51.3	66%	0.664	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	19.6	-175.4	-58.3	78.1	8.8	0	0	113.3	S640 E644	S640-Q642 VanDerWaalsContact C-N 3.27Å; S640-Q642 PolarHBondContact O-N 2.98Å; Q642-E644 PolarHBondContact O-N 3.16Å
643	V	87	Confident	88.9	Confident	21 Å²	21	54.6 Å²	54.6	13%	0.127	29%	0.293	C	S	.	.			trans	-61	131.3	-176.3	71.4	0	0	0	0	112.2	V639 S640 R641 L689 K725	V639-V643 HydrophobicContact CG1-CB 3.72Å; V639-V643 HydrophobicContact CG1-CG1 3.47Å; V639-V643 VanDerWaalsContact CG1-CG1 3.47Å; V639-V643 HydrophobicContact CG1-CG2 3.97Å; S640-V643 PolarHBondContact O-N 3.42Å; R641-V643 VanDerWaalsContact C-N 3.31Å; R641-V643 PolarHBondContact O-N 3.44Å; V643-L689 HydrophobicContact CG2-CD2 3.81Å; V643-K725 HydrophobicContact CG1-CB 4.47Å; V643-K725 HydrophobicContact CG1-CG 4.12Å
644	E	84.5	Confident	88.1	Confident	166 Å²	166	60.1 Å²	60.1	78%	0.776	32%	0.322	S	S	*	.			trans	-105	133.2	169.3	-66.5	-166.2	167.8	0	0	110.1	Q642	Q642-E644 PolarHBondContact O-N 3.16Å
645	L	86.1	Confident	87.6	Confident	50 Å²	50	60.2 Å²	60.2	26%	0.262	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-88.5	117.1	175.5	-73.8	162.9	0	0	0	108.4	Q688 L689 R721 K725	L645-Q688 HydrophobicContact CD2-CB 4Å; L645-L689 HydrophobicContact CD2-CD2 3.48Å; L645-L689 VanDerWaalsContact CD2-CD2 3.48Å; L645-L689 HydrophobicContact CD2-CG 4.08Å; L645-L689 HydrophobicContact CG-CD2 4.43Å; L645-R721 HydrophobicContact CD1-CG 4.33Å; L645-R721 WeakPolarHBondContact CD1-O 3.41Å; L645-K725 HydrophobicContact CD1-CB 4.36Å; L645-K725 HydrophobicContact CD1-CD 4.05Å
646	S	84.9	Confident	87.2	Confident	37 Å²	37	60.3 Å²	60.3	26%	0.259	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-95.6	131.7	177	54.1	0	0	0	0	110	Q688 S690 K696	S646-Q688 PolarHBondContact N-O 3.33Å; S646-Q688 WeakPolarHBondContact O-CA 3.34Å; S646-S690 PolarHBondContact OG-O 2.8Å; S646-S690 VanDerWaalsContact OG-O 3.13Å; S646-K696 PolarHBondContact O-NZ 2.95Å; S646-K696 VanDerWaalsContact O-NZ 3.15Å; S646-K696 WeakPolarHBondContact OG-CE 3.44Å; S646-K696 PolarHBondContact OG-NZ 2.93Å
647	P	82.8	Confident	86.9	Confident	114 Å²	114	62.9 Å²	62.9	74%	0.74	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-59	151.8	177.7	25.4	-32.8	0	0	0	110.6
648	L	82.7	Confident	86.5	Confident	49 Å²	49	66.7 Å²	66.7	26%	0.257	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-77.9	127.9	172.3	-86	158.5	0	0	0	108.9	L652 P687 Q688	L648-L652 HydrophobicContact CD2-CB 3.81Å; L648-L652 HydrophobicContact CD2-CD1 4.36Å; L648-P687 HydrophobicContact CD1-CB 4.11Å; L648-P687 HydrophobicContact CD2-CB 3.58Å; L648-P687 HydrophobicContact CD2-CG 4.5Å; L648-P687 HydrophobicContact CG-CB 4.19Å; L648-Q688 HydrophobicContact CD1-CG 4.09Å; L648-Q688 HydrophobicContact CG-CG 4.29Å
649	P	83.4	Confident	86.2	Confident	48 Å²	48	66.6 Å²	66.6	31%	0.312	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-54.8	148.8	167.4	-22.6	32.7	0	0	0	110.8	S651 L652 S653 L693	P649-S651 PolarHBondContact O-N 3.16Å; P649-L652 HydrophobicContact CG-CD1 4.39Å; P649-L652 PolarHBondContact O-N 3.02Å; P649-S653 PolarHBondContact O-N 3.19Å; P649-L693 HydrophobicContact CG-CD1 3.95Å
650	E	78.3	Confident	85.7	Confident	178 Å²	178	68.9 Å²	68.9	83%	0.832	38%	0.376	S	S	*	.	H	α-helix	trans	-54.3	-38	178.3	-70.7	-176.5	167.9	0	0	112.1	L652 S653	E650-L652 PolarHBondContact O-N 3.07Å; E650-L652 VanDerWaalsContact O-N 3.14Å; E650-S653 WeakPolarHBondContact O-CB 3.43Å; E650-S653 PolarHBondContact O-N 2.94Å; E650-S653 VanDerWaalsContact O-N 3.12Å; E650-S653 PolarHBondContact O-OG 3.32Å
651	S	76.6	Confident	85.3	Confident	50 Å²	50	68.9 Å²	68.9	35%	0.35	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-21.3	176.1	58.5	0	0	0	0	114.5	P649	P649-S651 PolarHBondContact O-N 3.16Å
652	L	82.5	Confident	85.1	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-105.3	-5.3	178.9	-65.3	-175.5	0	0	0	113.7	L648 P649 E650 N654 C655 L693 K696 Y697 V700	L648-L652 HydrophobicContact CD2-CB 3.81Å; L648-L652 HydrophobicContact CD2-CD1 4.36Å; P649-L652 HydrophobicContact CG-CD1 4.39Å; P649-L652 PolarHBondContact O-N 3.02Å; E650-L652 PolarHBondContact O-N 3.07Å; E650-L652 VanDerWaalsContact O-N 3.14Å; L652-N654 VanDerWaalsContact C-N 3.33Å; L652-N654 PolarHBondContact O-N 2.78Å; L652-C655 HydrophobicContact CB-CB 4.46Å; L652-C655 HydrophobicContact CD2-CB 3.91Å; L652-C655 PolarHBondContact O-N 3.32Å; L652-L693 HydrophobicContact CD1-CD1 3.78Å; L652-K696 HydrophobicContact CD1-CB 3.86Å; L652-K696 HydrophobicContact CD1-CD 4.46Å; L652-Y697 HydrophobicContact CD2-CD1 3.96Å; L652-Y697 HydrophobicContact CD2-CE1 3.67Å; L652-V700 HydrophobicContact CD2-CG2 4.49Å
653	S	78.1	Confident	85	Confident	69 Å²	69	58 Å²	58	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-37.9	-173.8	62	0	0	0	0	113.8	P649 E650	P649-S653 PolarHBondContact O-N 3.19Å; E650-S653 WeakPolarHBondContact O-CB 3.43Å; E650-S653 PolarHBondContact O-N 2.94Å; E650-S653 VanDerWaalsContact O-N 3.12Å; E650-S653 PolarHBondContact O-OG 3.32Å
654	N	81.3	Confident	85	Confident	131 Å²	131	58.7 Å²	58.7	70%	0.701	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	17.8	176.4	-65	-45.6	0	0	0	112.3	L652	L652-N654 VanDerWaalsContact C-N 3.33Å; L652-N654 PolarHBondContact O-N 2.78Å
655	C	88.8	Confident	85.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.014	32%	0.323	C	S	.	.			trans	-77.6	132.4	-176.9	167.1	0	0	0	0	111	N559 C560 L652 V700	N559-C655 WeakPolarHBondContact O-CA 3.48Å; C560-C655 HydrophobicContact CB-CB 3.9Å; C560-C655 WeakPolarHBondContact CB-SG 3.21Å; C560-C655 WeakPolarHBondContact SG-CB 3.12Å; C560-C655 CovalentContact SG-SG 2.02Å; C560-C655 PolarHBondContact SG-SG 2.82Å; L652-C655 HydrophobicContact CB-CB 4.46Å; L652-C655 HydrophobicContact CD2-CB 3.91Å; L652-C655 PolarHBondContact O-N 3.32Å; C655-V700 VanDerWaalsContact SG-CG2 3.58Å
656	V	91.2	Very high	85.3	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.018	33%	0.327	C	S	.	.			trans	-132.9	131.8	163.4	179.6	0	0	0	0	107.5	C558 N559 C670 Y681 F683 V700 I702 T705	C558-V656 HydrophobicContact CB-CB 4.28Å; C558-V656 HydrophobicContact CB-CG1 4.48Å; C558-V656 WeakPolarHBondContact CB-O 3.4Å; N559-V656 PolarHBondContact O-N 3.09Å; V656-C670 VanDerWaalsContact CB-SG 3.59Å; V656-Y681 HydrophobicContact CG2-CD2 4.23Å; V656-Y681 HydrophobicContact CG2-CE1 4.3Å; V656-Y681 HydrophobicContact CG2-CE2 3.44Å; V656-Y681 VanDerWaalsContact CG2-CE2 3.44Å; V656-Y681 VanDerWaalsContact CG2-CZ 3.48Å; V656-Y681 WeakPolarHBondContact CG2-OH 3.26Å; V656-F683 HydrophobicContact CG2-CZ 4.31Å; V656-V700 CarbonylContact C-O 3.58Å; V656-V700 WeakPolarHBondContact CA-O 3.36Å; V656-I702 HydrophobicContact CG1-CB 3.76Å; V656-I702 HydrophobicContact CG1-CD1 4.29Å; V656-I702 HydrophobicContact CG1-CG1 3.92Å; V656-T705 HydrophobicContact CG1-CG2 4.23Å
657	R	90.4	Very high	85.6	Confident	56 Å²	56	54.6 Å²	54.6	21%	0.211	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-111.6	134.7	-177.5	-67	179.1	73.8	-128.9	5.5	110.9	C560 E562 Y697 V700 L701 I702	C560-R657 HydrophobicContact CB-CG 3.93Å; E562-R657 IonicContact OE1-CZ 3.94Å; E562-R657 IonicContact OE1-NE 2.77Å; E562-R657 PolarHBondContact OE1-NE 3.01Å; E562-R657 IonicContact OE1-NH2 3.05Å; E562-R657 PolarHBondContact OE1-NH2 3.33Å; R657-Y697 PolarHBondContact NH1-O 2.93Å; R657-V700 HydrophobicContact CG-CG2 4.16Å; R657-V700 PolarHBondContact N-O 3.18Å; R657-L701 HydrophobicContact CB-CD2 4.16Å; R657-L701 CarbonylContact O-C 3.55Å; R657-L701 WeakPolarHBondContact O-CA 3.15Å; R657-I702 PolarHBondContact O-N 3.49Å
658	P	89.4	Confident	86	Confident	81 Å²	81	49.3 Å²	49.3	53%	0.526	29%	0.286	S	S	.	.			trans	-56.8	146.9	167.8	-23.1	33.8	0	0	0	111.3	L556	L556-P658 HydrophobicContact CD1-CB 4.28Å; L556-P658 HydrophobicContact CD1-CG 4.44Å
659	D	88.9	Confident	86.4	Confident	9 Å²	9	47.9 Å²	47.9	5%	0.048	28%	0.279	C	S	.	.			trans	-103.5	112.5	175.6	-171	-24.6	0	0	0	109.8	R661 V662 L701 I702 T703	D659-R661 PolarHBondContact O-N 3.44Å; D659-R661 WeakPolarHBondContact OD1-CB 3.38Å; D659-R661 IonicContact OD1-CZ 3.94Å; D659-R661 PolarHBondContact OD1-N 2.98Å; D659-R661 IonicContact OD1-NE 3.94Å; D659-R661 PolarHBondContact OD1-NE 2.79Å; D659-R661 IonicContact OD1-NH2 2.86Å; D659-R661 PolarHBondContact OD1-NH2 2.94Å; D659-R661 IonicContact OD2-CZ 2.82Å; D659-R661 IonicContact OD2-NE 2.77Å; D659-R661 PolarHBondContact OD2-NE 2.66Å; D659-R661 IonicContact OD2-NH2 3.54Å; D659-R661 PolarHBondContact OD2-NH2 3.13Å; D659-V662 PolarHBondContact O-N 2.77Å; D659-L701 HydrophobicContact CB-CD2 4.27Å; D659-I702 HydrophobicContact CB-CG2 4.46Å; D659-T703 HydrophobicContact CB-CG2 3.53Å; D659-T703 WeakPolarHBondContact OD2-CG2 3.39Å; D659-T703 PolarHBondContact OD2-OG1 2.94Å
660	A	85.6	Confident	86.6	Confident	54 Å²	54	46.1 Å²	46.1	45%	0.446	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.3	-177.1	0	0	0	0	0	114.5	V549	V549-A660 PolarHBondContact N-O 3.39Å
661	R	86.6	Confident	87	Confident	53 Å²	53	40.3 Å²	40.3	20%	0.2	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-17.5	175.5	-60.9	167.8	-67	-173.7	3.8	112.6	L548 L616 H617 H618 D659	L548-R661 HydrophobicContact CD2-CG 4.46Å; L616-R661 HydrophobicContact CD2-CB 4.24Å; H617-R661 PolarHBondContact O-NH1 2.7Å; H618-R661 PolarHBondContact NE2-NH2 3.23Å; D659-R661 PolarHBondContact O-N 3.44Å; D659-R661 WeakPolarHBondContact OD1-CB 3.38Å; D659-R661 IonicContact OD1-CZ 3.94Å; D659-R661 PolarHBondContact OD1-N 2.98Å; D659-R661 IonicContact OD1-NE 3.94Å; D659-R661 PolarHBondContact OD1-NE 2.79Å; D659-R661 IonicContact OD1-NH2 2.86Å; D659-R661 PolarHBondContact OD1-NH2 2.94Å; D659-R661 IonicContact OD2-CZ 2.82Å; D659-R661 IonicContact OD2-NE 2.77Å; D659-R661 PolarHBondContact OD2-NE 2.66Å; D659-R661 IonicContact OD2-NH2 3.54Å; D659-R661 PolarHBondContact OD2-NH2 3.13Å
662	V	88.3	Confident	87.4	Confident	11 Å²	11	39.9 Å²	39.9	7%	0.067	24%	0.241	C	C	.	.	S	Bend	trans	-118.9	121.6	-177.5	-179	0	0	0	0	109	L616 Y625 D659 F666 T703	L616-V662 HydrophobicContact CD1-CG2 4.25Å; L616-V662 HydrophobicContact CD2-CG2 4.45Å; Y625-V662 HydrophobicContact CD1-CG1 4.16Å; Y625-V662 HydrophobicContact CD1-CG2 4.05Å; Y625-V662 HydrophobicContact CE1-CG1 3.63Å; Y625-V662 HydrophobicContact CE1-CG2 4.27Å; D659-V662 PolarHBondContact O-N 2.77Å; V662-F666 HydrophobicContact CG1-CB 3.98Å; V662-T703 HydrophobicContact CB-CG2 3.96Å; V662-T703 HydrophobicContact CG1-CG2 4.48Å; V662-T703 HydrophobicContact CG2-CG2 3.59Å
663	P	87.2	Confident	87.5	Confident	34 Å²	34	40.8 Å²	40.8	22%	0.221	24%	0.244	C	C	.	.			trans	-56.6	150.4	177.2	-25.1	32.8	0	0	0	112.9	V549 A665 F666 S667	V549-P663 HydrophobicContact CG1-CG 4.3Å; V549-P663 HydrophobicContact CG2-CG 4.1Å; P663-A665 PolarHBondContact O-N 2.91Å; P663-F666 HydrophobicContact CB-CD2 3.98Å; P663-F666 HydrophobicContact CG-CD2 3.86Å; P663-F666 HydrophobicContact CG-CE2 4.38Å; P663-F666 CarbonylContact O-C 3.49Å; P663-F666 PolarHBondContact O-N 3.49Å; P663-S667 PolarHBondContact O-N 3.09Å; P663-S667 PolarHBondContact O-OG 2.92Å
664	P	86.8	Confident	87.7	Confident	34 Å²	34	45.4 Å²	45.4	22%	0.221	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-53.5	-36.8	174	-29.3	36.7	0	0	0	113.7	A552 D554 L556 F666 S667	A552-P664 HydrophobicContact CB-CG 4.41Å; D554-P664 HydrophobicContact CB-CB 3.78Å; D554-P664 HydrophobicContact CB-CG 4.21Å; L556-P664 HydrophobicContact CD2-CB 4.15Å; P664-F666 PolarHBondContact O-N 3.33Å; P664-F666 VanDerWaalsContact O-N 3.17Å; P664-S667 PolarHBondContact O-N 3.35Å
665	A	87.9	Confident	87.5	Confident	74 Å²	74	42.7 Å²	42.7	61%	0.612	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-62.2	-21.4	176.9	0	0	0	0	0	114.5	P663	P663-A665 PolarHBondContact O-N 2.91Å
666	F	90.4	Very high	86.9	Confident	79 Å²	79	45.3 Å²	45.3	35%	0.346	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-112	12.8	175.8	-56.4	-61.3	0	0	0	112.1	Y625 E627 V662 P663 P664	Y625-F666 VanDerWaalsContact CE1-O 3.31Å; Y625-F666 WeakPolarHBondContact CE1-O 3.25Å; Y625-F666 PolarHBondContact OH-O 3.1Å; E627-F666 HydrophobicContact CB-CB 4.36Å; E627-F666 HydrophobicContact CB-CD1 3.96Å; E627-F666 HydrophobicContact CB-CG 4.18Å; E627-F666 HydrophobicContact CG-CB 4.31Å; E627-F666 HydrophobicContact CG-CD1 4.47Å; E627-F666 HydrophobicContact CG-CG 4.22Å; V662-F666 HydrophobicContact CG1-CB 3.98Å; P663-F666 HydrophobicContact CB-CD2 3.98Å; P663-F666 HydrophobicContact CG-CD2 3.86Å; P663-F666 HydrophobicContact CG-CE2 4.38Å; P663-F666 CarbonylContact O-C 3.49Å; P663-F666 PolarHBondContact O-N 3.49Å; P664-F666 PolarHBondContact O-N 3.33Å; P664-F666 VanDerWaalsContact O-N 3.17Å
667	S	90.7	Very high	86.2	Confident	15 Å²	15	56.8 Å²	56.8	11%	0.105	30%	0.302	C	S	.	.	S	Bend	trans	-105.4	154.5	177.9	-63.2	0	0	0	0	110.7	P663 P664	P663-S667 PolarHBondContact O-N 3.09Å; P663-S667 PolarHBondContact O-OG 2.92Å; P664-S667 PolarHBondContact O-N 3.35Å
668	Q	91.8	Very high	86	Confident	3 Å²	3	59 Å²	59	1%	0.014	32%	0.315	C	S	.	.			trans	-69.4	173.5	166.6	-61.6	177.6	35.7	0	0	110.5	F630 Y673 I702 T705 V764	F630-Q668 HydrophobicContact CB-CG 3.92Å; F630-Q668 WeakPolarHBondContact O-CG 3.5Å; F630-Q668 PolarHBondContact O-NE2 3.41Å; Q668-Y673 VanDerWaalsContact OE1-CE2 3.29Å; Q668-Y673 VanDerWaalsContact OE1-CZ 3.31Å; Q668-Y673 PolarHBondContact OE1-OH 2.86Å; Q668-I702 HydrophobicContact CB-CD1 4.18Å; Q668-I702 HydrophobicContact CB-CG1 4.17Å; Q668-I702 WeakPolarHBondContact O-CD1 3.4Å; Q668-T705 PolarHBondContact NE2-O 2.81Å; Q668-T705 PolarHBondContact OE1-OG1 3.43Å; Q668-V764 HydrophobicContact CG-CG1 4.27Å; Q668-V764 HydrophobicContact CG-CG2 4.14Å
669	S	89.7	Confident	86	Confident	18 Å²	18	55.3 Å²	55.3	13%	0.126	29%	0.291	C	S	.	.			trans	-126.5	134.1	174.2	177.2	0	0	0	0	111.3	L556 S671 N672 Y673	L556-S669 PolarHBondContact O-OG 2.86Å; L556-S669 VanDerWaalsContact O-OG 3.09Å; S669-S671 VanDerWaalsContact C-N 3.25Å; S669-S671 PolarHBondContact O-N 2.69Å; S669-S671 PolarHBondContact OG-N 3.47Å; S669-S671 PolarHBondContact OG-OG 3.06Å; S669-N672 WeakPolarHBondContact O-CB 3.39Å; S669-N672 PolarHBondContact O-N 2.88Å; S669-Y673 WeakPolarHBondContact O-CD2 3.38Å
670	C	87.6	Confident	86.2	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-25.7	175	-63.3	0	0	0	0	112.1	L556 C558 V656 N672 Y673 R674	L556-C670 WeakPolarHBondContact O-CB 3.31Å; L556-C670 PolarHBondContact O-N 2.84Å; C558-C670 WeakPolarHBondContact CA-SG 3.32Å; C558-C670 HydrophobicContact CB-CB 3.89Å; C558-C670 WeakPolarHBondContact CB-SG 3.37Å; C558-C670 WeakPolarHBondContact SG-CB 3.29Å; C558-C670 CovalentContact SG-SG 2.04Å; C558-C670 PolarHBondContact SG-SG 3.43Å; V656-C670 VanDerWaalsContact CB-SG 3.59Å; C670-N672 VanDerWaalsContact C-N 3.31Å; C670-N672 PolarHBondContact O-N 3.25Å; C670-Y673 PolarHBondContact O-N 2.93Å; C670-R674 PolarHBondContact O-N 3.26Å
671	S	86.4	Confident	86.5	Confident	56 Å²	56	55.9 Å²	55.9	39%	0.392	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-33.9	175.1	57.1	0	0	0	0	112.1	S669 Y673 R674 A675	S669-S671 VanDerWaalsContact C-N 3.25Å; S669-S671 PolarHBondContact O-N 2.69Å; S669-S671 PolarHBondContact OG-N 3.47Å; S669-S671 PolarHBondContact OG-OG 3.06Å; S671-Y673 VanDerWaalsContact C-N 3.34Å; S671-Y673 PolarHBondContact O-N 2.8Å; S671-R674 PolarHBondContact O-N 2.79Å; S671-R674 VanDerWaalsContact O-N 3.12Å; S671-A675 WeakPolarHBondContact O-CB 3.3Å; S671-A675 PolarHBondContact O-N 2.76Å
672	N	85.1	Confident	86.9	Confident	41 Å²	41	53.6 Å²	53.6	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-44.2	175.9	-65.5	1.5	0	0	0	111.3	S669 C670 R674 A675 E676 V760 S761	S669-N672 WeakPolarHBondContact O-CB 3.39Å; S669-N672 PolarHBondContact O-N 2.88Å; C670-N672 VanDerWaalsContact C-N 3.31Å; C670-N672 PolarHBondContact O-N 3.25Å; N672-R674 VanDerWaalsContact C-N 3.31Å; N672-R674 PolarHBondContact O-N 2.84Å; N672-A675 PolarHBondContact O-N 3.21Å; N672-E676 WeakPolarHBondContact O-CB 3.41Å; N672-E676 PolarHBondContact O-N 2.87Å; N672-V760 HydrophobicContact CB-CG1 4.37Å; N672-S761 WeakPolarHBondContact CB-OG 3.41Å
673	Y	84.9	Confident	87.3	Confident	22 Å²	22	54.5 Å²	54.5	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-23.5	177.1	-68.1	-69.1	0	0	0	114.2	Q668 S669 C670 S671 V679 T680 Y681 P707 V760	Q668-Y673 VanDerWaalsContact OE1-CE2 3.29Å; Q668-Y673 VanDerWaalsContact OE1-CZ 3.31Å; Q668-Y673 PolarHBondContact OE1-OH 2.86Å; S669-Y673 WeakPolarHBondContact O-CD2 3.38Å; C670-Y673 PolarHBondContact O-N 2.93Å; S671-Y673 VanDerWaalsContact C-N 3.34Å; S671-Y673 PolarHBondContact O-N 2.8Å; Y673-V679 HydrophobicContact CE1-CG1 4.35Å; Y673-T680 WeakPolarHBondContact CE1-O 3.19Å; Y673-Y681 HydrophobicContact CD2-CD1 4.22Å; Y673-Y681 HydrophobicContact CG-CD1 4.11Å; Y673-P707 HydrophobicContact CE1-CB 3.94Å; Y673-V760 HydrophobicContact CD1-CG1 4.47Å; Y673-V760 HydrophobicContact CE1-CG1 4.46Å
674	R	82	Confident	87.8	Confident	166 Å²	166	52.9 Å²	52.9	63%	0.626	27%	0.27	S	S	*	.	H	α-helix	trans	-80	-33.1	173.2	-69.1	-178.9	-170.6	151.2	10.1	111.9	G557 C670 S671 N672	G557-R674 PolarHBondContact O-NH1 3.05Å; G557-R674 PolarHBondContact O-NH2 2.74Å; C670-R674 PolarHBondContact O-N 3.26Å; S671-R674 PolarHBondContact O-N 2.79Å; S671-R674 VanDerWaalsContact O-N 3.12Å; N672-R674 VanDerWaalsContact C-N 3.31Å; N672-R674 PolarHBondContact O-N 2.84Å
675	A	77	Confident	88.3	Confident	74 Å²	74	51.7 Å²	51.7	61%	0.612	26%	0.261	S	S	*	.	H	α-helix	trans	-72.3	-35.9	178	0	0	0	0	0	111.9	S671 N672	S671-A675 WeakPolarHBondContact O-CB 3.3Å; S671-A675 PolarHBondContact O-N 2.76Å; N672-A675 PolarHBondContact O-N 3.21Å
676	E	76.9	Confident	88.6	Confident	57 Å²	57	48.2 Å²	48.2	27%	0.266	23%	0.232	S	C	.	.			trans	-90	117.4	-176.4	-155.6	60.8	-112.6	0	0	112.3	N672 H678 V760	N672-E676 WeakPolarHBondContact O-CB 3.41Å; N672-E676 PolarHBondContact O-N 2.87Å; E676-H678 VanDerWaalsContact CG-CE1 3.44Å; E676-H678 WeakPolarHBondContact CG-CE1 3.47Å; E676-H678 WeakPolarHBondContact CG-ND1 3.48Å; E676-H678 PolarHBondContact O-N 2.83Å; E676-H678 IonicContact OE1-CE1 3.37Å; E676-H678 PolarHBondContact OE1-CE1 2.92Å; E676-H678 IonicContact OE1-ND1 2.71Å; E676-H678 PolarHBondContact OE1-ND1 2.83Å; E676-V760 HydrophobicContact CB-CG1 4.18Å; E676-V760 HydrophobicContact CG-CG1 4.37Å
677	R	76.1	Confident	88.7	Confident	244 Å²	244	44.5 Å²	44.5	92%	0.921	22%	0.216	S	C	*	.	S	Bend	trans	-78.3	-19.1	-174.8	-68.5	-172.7	178.9	-170.7	-0.1	114.6
678	H	85.9	Confident	88.8	Confident	103 Å²	103	46.4 Å²	46.4	48%	0.477	22%	0.223	S	C	.	.	S	Bend	trans	-106	-14.6	-166.5	67.3	-81.6	0	0	0	114	E676 Y709 P710	E676-H678 VanDerWaalsContact CG-CE1 3.44Å; E676-H678 WeakPolarHBondContact CG-CE1 3.47Å; E676-H678 WeakPolarHBondContact CG-ND1 3.48Å; E676-H678 PolarHBondContact O-N 2.83Å; E676-H678 IonicContact OE1-CE1 3.37Å; E676-H678 PolarHBondContact OE1-CE1 2.92Å; E676-H678 IonicContact OE1-ND1 2.71Å; E676-H678 PolarHBondContact OE1-ND1 2.83Å; H678-Y709 VanDerWaalsContact O-CD1 3.29Å; H678-Y709 WeakPolarHBondContact O-CD1 3.2Å; H678-P710 WeakPolarHBondContact O-CD 3.43Å
679	V	90.6	Very high	88.8	Confident	4 Å²	4	47 Å²	47	2%	0.024	23%	0.227	C	C	.	.			trans	-125.2	134.4	177	178.1	0	0	0	0	109.1	Y673 P707 Y709 V760	Y673-V679 HydrophobicContact CE1-CG1 4.35Å; V679-P707 HydrophobicContact CG1-CB 3.77Å; V679-Y709 HydrophobicContact CG2-CD1 3.97Å; V679-Y709 HydrophobicContact CG2-CE1 3.62Å; V679-V760 HydrophobicContact CB-CG2 4.19Å; V679-V760 HydrophobicContact CG1-CG2 3.75Å
680	T	92.3	Very high	88.8	Confident	37 Å²	37	46.2 Å²	46.2	23%	0.227	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-170.2	172.5	-171.7	0	0	0	0	109.5	Y673 P707 M708 P710 K713	Y673-T680 WeakPolarHBondContact CE1-O 3.19Å; T680-P707 CarbonylContact O-C 3.48Å; T680-P707 WeakPolarHBondContact O-CA 3.07Å; T680-M708 CarbonylContact C-O 3.6Å; T680-M708 WeakPolarHBondContact CG2-O 3.29Å; T680-M708 PolarHBondContact N-O 2.93Å; T680-M708 PolarHBondContact O-N 3.01Å; T680-M708 VanDerWaalsContact O-O 3.12Å; T680-P710 HydrophobicContact CG2-CG 4.28Å; T680-K713 HydrophobicContact CG2-CD 3.77Å
681	Y	92.4	Very high	88.4	Confident	37 Å²	37	49.9 Å²	49.9	15%	0.145	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	157.8	172.3	68	-87.2	0	0	0	111.3	V656 Y673 F683 T705 V706 K713	V656-Y681 HydrophobicContact CG2-CD2 4.23Å; V656-Y681 HydrophobicContact CG2-CE1 4.3Å; V656-Y681 HydrophobicContact CG2-CE2 3.44Å; V656-Y681 VanDerWaalsContact CG2-CE2 3.44Å; V656-Y681 VanDerWaalsContact CG2-CZ 3.48Å; V656-Y681 WeakPolarHBondContact CG2-OH 3.26Å; Y673-Y681 HydrophobicContact CD2-CD1 4.22Å; Y673-Y681 HydrophobicContact CG-CD1 4.11Å; Y681-F683 HydrophobicContact CD2-CZ 4.46Å; Y681-F683 HydrophobicContact CE2-CE2 4.22Å; Y681-F683 AromaticContact CE2-CZ 3.94Å; Y681-F683 HydrophobicContact CE2-CZ 3.94Å; Y681-T705 HydrophobicContact CD2-CG2 4.08Å; Y681-V706 WeakPolarHBondContact CA-O 3.23Å; Y681-K713 PolarHBondContact O-NZ 3.38Å
682	A	94.9	Very high	88.3	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	171.2	167.2	0	0	0	0	0	110.2	T705 V706 M708	A682-T705 CarbonylContact O-C 3.4Å; A682-T705 VanDerWaalsContact O-CA 3.32Å; A682-T705 WeakPolarHBondContact O-CA 3.47Å; A682-V706 PolarHBondContact N-O 3.32Å; A682-V706 PolarHBondContact O-N 2.92Å; A682-M708 HydrophobicContact CB-CB 4.34Å; A682-M708 HydrophobicContact CB-CE 4.23Å; A682-M708 HydrophobicContact CB-CG 4.07Å; A682-M708 HydrophobicContact CB-SD 3.39Å; A682-M708 WeakPolarHBondContact CB-SD 3.44Å
683	F	96.3	Very high	88.2	Confident	30 Å²	30	52.2 Å²	52.2	13%	0.132	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.1	179.7	-61.1	-70.2	0	0	0	110.9	V656 Y681 Y685 P687 A699 V700 N704 T705 W716 Q720	V656-F683 HydrophobicContact CG2-CZ 4.31Å; Y681-F683 HydrophobicContact CD2-CZ 4.46Å; Y681-F683 HydrophobicContact CE2-CE2 4.22Å; Y681-F683 AromaticContact CE2-CZ 3.94Å; Y681-F683 HydrophobicContact CE2-CZ 3.94Å; F683-Y685 WeakPolarHBondContact CB-O 3.3Å; F683-P687 HydrophobicContact CD2-CG 3.91Å; F683-P687 HydrophobicContact CE2-CG 4.25Å; F683-P687 HydrophobicContact CG-CG 4.36Å; F683-A699 WeakPolarHBondContact CD1-O 3.29Å; F683-V700 HydrophobicContact CE1-CB 4.45Å; F683-V700 HydrophobicContact CE2-CG1 4.44Å; F683-V700 HydrophobicContact CZ-CB 4.17Å; F683-V700 HydrophobicContact CZ-CG1 4.18Å; F683-N704 WeakPolarHBondContact CA-O 3.03Å; F683-N704 HydrophobicContact CD1-CB 4.37Å; F683-T705 HydrophobicContact CD1-CG2 3.83Å; F683-T705 HydrophobicContact CE1-CG2 3.49Å; F683-T705 VanDerWaalsContact CE1-CG2 3.49Å; F683-T705 HydrophobicContact CZ-CG2 4.42Å; F683-W716 PolarHBondContact O-NE1 2.99Å; F683-W716 VanDerWaalsContact O-NE1 3.07Å; F683-Q720 PolarHBondContact O-NE2 3.3Å
684	L	97.6	Very high	88.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-71.8	-49.1	174.1	-70.7	-179.4	0	0	0	111.2	P632 T635 N704 V706 W716 Q720 V738 Y770	P632-L684 HydrophobicContact CB-CD1 3.73Å; P632-L684 HydrophobicContact CG-CD1 3.9Å; T635-L684 HydrophobicContact CG2-CB 4.22Å; T635-L684 WeakPolarHBondContact OG1-CD1 3.47Å; L684-N704 PolarHBondContact N-O 3.45Å; L684-N704 VanDerWaalsContact N-O 3.08Å; L684-N704 PolarHBondContact N-OD1 2.94Å; L684-V706 HydrophobicContact CD1-CG1 3.89Å; L684-V706 HydrophobicContact CD2-CG1 4.05Å; L684-V706 HydrophobicContact CD2-CG2 3.87Å; L684-V706 HydrophobicContact CG-CG1 3.8Å; L684-V706 HydrophobicContact CG-CG2 4.1Å; L684-W716 HydrophobicContact CD2-CZ2 4.12Å; L684-Q720 PolarHBondContact O-NE2 2.95Å; L684-V738 HydrophobicContact CB-CG2 4.04Å; L684-V738 HydrophobicContact CD2-CG2 4.23Å; L684-Y770 HydrophobicContact CD2-CD1 4.42Å; L684-Y770 HydrophobicContact CD2-CE1 4.36Å
685	Y	97.3	Very high	88.3	Confident	8 Å²	8	52.5 Å²	52.5	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-88.2	120.4	166	175.9	-98.4	0	0	0	110.3	D620 Y621 Y637 F683 P687 L689 S690 A699 N704	D620-Y685 HydrophobicContact CB-CE1 4.08Å; D620-Y685 HydrophobicContact CB-CE2 4Å; D620-Y685 VanDerWaalsContact CB-CZ 3.48Å; D620-Y685 WeakPolarHBondContact CB-OH 3.36Å; D620-Y685 PolarHBondContact OD2-OH 3.07Å; Y621-Y685 AromaticContact CD1-CD1 3.31Å; Y621-Y685 HydrophobicContact CD1-CD1 3.31Å; Y621-Y685 AromaticContact CD1-CD2 3.99Å; Y621-Y685 HydrophobicContact CD1-CD2 3.99Å; Y621-Y685 AromaticContact CD1-CE1 3.89Å; Y621-Y685 HydrophobicContact CD1-CE1 3.89Å; Y621-Y685 HydrophobicContact CD1-CE2 4.47Å; Y621-Y685 AromaticContact CD1-CG 3.38Å; Y621-Y685 HydrophobicContact CD1-CG 3.38Å; Y621-Y685 HydrophobicContact CD2-CG 4.38Å; Y621-Y685 AromaticContact CE1-CD1 3.63Å; Y621-Y685 HydrophobicContact CE1-CD1 3.63Å; Y621-Y685 HydrophobicContact CE1-CE1 4.33Å; Y621-Y685 HydrophobicContact CE1-CG 4.02Å; Y621-Y685 HydrophobicContact CG-CD1 4.04Å; Y621-Y685 AromaticContact CG-CD2 4Å; Y621-Y685 HydrophobicContact CG-CD2 4Å; Y621-Y685 AromaticContact CG-CG 3.6Å; Y621-Y685 HydrophobicContact CG-CG 3.6Å; Y637-Y685 AromaticContact CD1-CD2 3.87Å; Y637-Y685 HydrophobicContact CD1-CD2 3.87Å; Y637-Y685 AromaticContact CD2-CD2 3.89Å; Y637-Y685 HydrophobicContact CD2-CD2 3.89Å; Y637-Y685 HydrophobicContact CD2-CE2 4.01Å; Y637-Y685 HydrophobicContact CE1-CD2 4.36Å; Y637-Y685 HydrophobicContact CE2-CD2 4.37Å; Y637-Y685 AromaticContact CG-CD2 3.61Å; Y637-Y685 HydrophobicContact CG-CD2 3.61Å; Y637-Y685 HydrophobicContact CG-CE2 4.05Å; F683-Y685 WeakPolarHBondContact CB-O 3.3Å; Y685-P687 WeakPolarHBondContact O-CD 3.41Å; Y685-L689 HydrophobicContact CE2-CB 4.37Å; Y685-S690 WeakPolarHBondContact CE1-OG 3.14Å; Y685-S690 PolarHBondContact OH-N 2.76Å; Y685-S690 PolarHBondContact OH-OG 2.98Å; Y685-A699 HydrophobicContact CD1-CB 3.67Å; Y685-A699 HydrophobicContact CE1-CB 3.78Å; Y685-N704 PolarHBondContact N-OD1 2.94Å; Y685-N704 PolarHBondContact O-ND2 2.54Å
686	P	95	Very high	88.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.236	C	C	.	.			trans	-78.3	125.9	-175.5	28.4	-32.7	0	0	0	112.6	Q688 L689 Q720	P686-Q688 PolarHBondContact O-N 3.05Å; P686-L689 HydrophobicContact CG-CB 4.26Å; P686-L689 HydrophobicContact CG-CD1 3.35Å; P686-L689 HydrophobicContact CG-CG 3.69Å; P686-L689 PolarHBondContact O-N 3.34Å; P686-Q720 HydrophobicContact CB-CB 4.03Å; P686-Q720 HydrophobicContact CB-CG 4.19Å; P686-Q720 HydrophobicContact CG-CB 4.13Å; P686-Q720 HydrophobicContact CG-CG 4.15Å
687	P	92.6	Very high	89.5	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-58.9	-18.4	177.8	-25.1	33.5	0	0	0	115.6	L648 F683 Y685 L689 S690 K696 A699 V700	L648-P687 HydrophobicContact CD1-CB 4.11Å; L648-P687 HydrophobicContact CD2-CB 3.58Å; L648-P687 HydrophobicContact CD2-CG 4.5Å; L648-P687 HydrophobicContact CG-CB 4.19Å; F683-P687 HydrophobicContact CD2-CG 3.91Å; F683-P687 HydrophobicContact CE2-CG 4.25Å; F683-P687 HydrophobicContact CG-CG 4.36Å; Y685-P687 WeakPolarHBondContact O-CD 3.41Å; P687-L689 VanDerWaalsContact C-N 3.28Å; P687-L689 PolarHBondContact O-N 3.48Å; P687-S690 PolarHBondContact O-N 3.41Å; P687-K696 WeakPolarHBondContact O-CG 3.23Å; P687-K696 PolarHBondContact O-NZ 2.89Å; P687-A699 HydrophobicContact CB-CB 3.74Å; P687-A699 HydrophobicContact CG-CB 3.69Å; P687-V700 HydrophobicContact CB-CG1 4.35Å; P687-V700 HydrophobicContact CG-CG1 3.92Å
688	Q	91.6	Very high	90.2	Very high	55 Å²	55	39.5 Å²	39.5	26%	0.257	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-72.3	-20.7	177.9	-59.6	84.8	-12.3	0	0	112.8	L645 S646 L648 P686	L645-Q688 HydrophobicContact CD2-CB 4Å; S646-Q688 PolarHBondContact N-O 3.33Å; S646-Q688 WeakPolarHBondContact O-CA 3.34Å; L648-Q688 HydrophobicContact CD1-CG 4.09Å; L648-Q688 HydrophobicContact CG-CG 4.29Å; P686-Q688 PolarHBondContact O-N 3.05Å
689	L	92.2	Very high	90.5	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.084	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-83.2	-13.1	176.8	-71.6	178.3	0	0	0	113.3	Y637 V639 V643 L645 Y685 P686 P687 V724	Y637-L689 HydrophobicContact CD2-CD1 4.28Å; Y637-L689 HydrophobicContact CE2-CD1 3.73Å; V639-L689 HydrophobicContact CG1-CD2 4.49Å; V639-L689 HydrophobicContact CG2-CD1 3.89Å; V643-L689 HydrophobicContact CG2-CD2 3.81Å; L645-L689 HydrophobicContact CD2-CD2 3.48Å; L645-L689 VanDerWaalsContact CD2-CD2 3.48Å; L645-L689 HydrophobicContact CD2-CG 4.08Å; L645-L689 HydrophobicContact CG-CD2 4.43Å; Y685-L689 HydrophobicContact CE2-CB 4.37Å; P686-L689 HydrophobicContact CG-CB 4.26Å; P686-L689 HydrophobicContact CG-CD1 3.35Å; P686-L689 HydrophobicContact CG-CG 3.69Å; P686-L689 PolarHBondContact O-N 3.34Å; P687-L689 VanDerWaalsContact C-N 3.28Å; P687-L689 PolarHBondContact O-N 3.48Å; L689-V724 HydrophobicContact CD1-CG1 4.17Å
690	S	89.7	Confident	90.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.176	C	C	.	.			trans	-69.2	136.5	179.9	-66.9	0	0	0	0	111.9	D620 S646 Y685 P687 N692	D620-S690 WeakPolarHBondContact OD2-CA 3.44Å; D620-S690 PolarHBondContact OD2-OG 2.92Å; S646-S690 PolarHBondContact OG-O 2.8Å; S646-S690 VanDerWaalsContact OG-O 3.13Å; Y685-S690 WeakPolarHBondContact CE1-OG 3.14Å; Y685-S690 PolarHBondContact OH-N 2.76Å; Y685-S690 PolarHBondContact OH-OG 2.98Å; P687-S690 PolarHBondContact O-N 3.41Å; S690-N692 PolarHBondContact O-N 3.37Å
691	S	79.5	Confident	90.7	Very high	88 Å²	88	33.1 Å²	33.1	62%	0.615	17%	0.168	S	C	*	.	S	Bend	trans	-74.5	-21.1	-173.3	62.9	0	0	0	0	114.4	K695	S691-K695 WeakPolarHBondContact OG-CD 3.47Å
692	N	84.9	Confident	90.8	Very high	67 Å²	67	31.5 Å²	31.5	36%	0.358	16%	0.162	S	C	.	.	S	Bend	trans	-151.5	170.1	-179.5	67.1	43.1	0	0	0	111.9	S690 E694 K695 K696	S690-N692 PolarHBondContact O-N 3.37Å; N692-E694 PolarHBondContact O-N 2.86Å; N692-E694 PolarHBondContact OD1-N 3.19Å; N692-K695 PolarHBondContact O-N 3.17Å; N692-K695 WeakPolarHBondContact OD1-CG 3.5Å; N692-K695 PolarHBondContact OD1-N 3.18Å; N692-K696 WeakPolarHBondContact O-CG 3.46Å; N692-K696 PolarHBondContact O-N 2.88Å; N692-K696 VanDerWaalsContact O-N 3.08Å
693	L	82.6	Confident	90.8	Very high	80 Å²	80	31.2 Å²	31.2	42%	0.419	16%	0.159	S	C	.	.	H	α-helix	trans	-64.6	-36.1	-175.8	-172.7	63.3	0	0	0	113.6	P649 L652 K695 K696 Y697	P649-L693 HydrophobicContact CG-CD1 3.95Å; L652-L693 HydrophobicContact CD1-CD1 3.78Å; L693-K695 PolarHBondContact O-N 3.11Å; L693-K696 HydrophobicContact CD1-CD 4.38Å; L693-K696 WeakPolarHBondContact O-CB 3.46Å; L693-K696 PolarHBondContact O-N 2.81Å; L693-Y697 HydrophobicContact CD1-CE2 4.44Å; L693-Y697 HydrophobicContact CG-CE2 3.96Å; L693-Y697 WeakPolarHBondContact O-CD2 3.43Å; L693-Y697 PolarHBondContact O-N 2.9Å
694	E	82.8	Confident	90.8	Very high	150 Å²	150	29.8 Å²	29.8	70%	0.701	15%	0.153	S	C	*	.	H	α-helix	trans	-60.6	-47.2	178	-173.8	176.8	-174.1	0	0	110.8	N692 K696 Y697	N692-E694 PolarHBondContact O-N 2.86Å; N692-E694 PolarHBondContact OD1-N 3.19Å; E694-K696 VanDerWaalsContact C-N 3.34Å; E694-K696 PolarHBondContact O-N 3Å; E694-Y697 WeakPolarHBondContact O-CB 3.46Å; E694-Y697 PolarHBondContact O-N 2.84Å
695	K	86.8	Confident	90.7	Very high	44 Å²	44	29.9 Å²	29.9	19%	0.191	15%	0.154	C	C	.	.	H	α-helix	trans	-70.1	-28.6	177.8	-65.2	177.5	168.4	-158.4	0	113.5	D620 S691 N692 L693 Y697 D698 A699	D620-K695 WeakPolarHBondContact OD1-CD 3.2Å; D620-K695 IonicContact OD1-NZ 2.82Å; D620-K695 PolarHBondContact OD1-NZ 2.92Å; D620-K695 WeakPolarHBondContact OD2-CD 3.2Å; S691-K695 WeakPolarHBondContact OG-CD 3.47Å; N692-K695 PolarHBondContact O-N 3.17Å; N692-K695 WeakPolarHBondContact OD1-CG 3.5Å; N692-K695 PolarHBondContact OD1-N 3.18Å; L693-K695 PolarHBondContact O-N 3.11Å; K695-Y697 PolarHBondContact O-N 3.09Å; K695-D698 WeakPolarHBondContact O-CB 3.24Å; K695-D698 PolarHBondContact O-N 3.25Å; K695-D698 VanDerWaalsContact O-N 3.12Å; K695-A699 PolarHBondContact O-N 2.77Å
696	K	89.1	Confident	90.7	Very high	10 Å²	10	29.5 Å²	29.5	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-30.9	172.4	-75	177	-177.2	-78	0	111.9	S646 L652 P687 N692 L693 E694 D698 A699 V700	S646-K696 PolarHBondContact O-NZ 2.95Å; S646-K696 VanDerWaalsContact O-NZ 3.15Å; S646-K696 WeakPolarHBondContact OG-CE 3.44Å; S646-K696 PolarHBondContact OG-NZ 2.93Å; L652-K696 HydrophobicContact CD1-CB 3.86Å; L652-K696 HydrophobicContact CD1-CD 4.46Å; P687-K696 WeakPolarHBondContact O-CG 3.23Å; P687-K696 PolarHBondContact O-NZ 2.89Å; N692-K696 WeakPolarHBondContact O-CG 3.46Å; N692-K696 PolarHBondContact O-N 2.88Å; N692-K696 VanDerWaalsContact O-N 3.08Å; L693-K696 HydrophobicContact CD1-CD 4.38Å; L693-K696 WeakPolarHBondContact O-CB 3.46Å; L693-K696 PolarHBondContact O-N 2.81Å; E694-K696 VanDerWaalsContact C-N 3.34Å; E694-K696 PolarHBondContact O-N 3Å; K696-D698 VanDerWaalsContact C-N 3.3Å; K696-D698 PolarHBondContact O-N 2.71Å; K696-A699 PolarHBondContact O-N 2.94Å; K696-V700 PolarHBondContact O-N 3.05Å
697	Y	89	Confident	90.7	Very high	42 Å²	42	29.4 Å²	29.4	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-67.8	-27.4	176.1	-74.8	-68.6	0	0	0	113.7	L652 R657 L693 E694 K695 V700	L652-Y697 HydrophobicContact CD2-CD1 3.96Å; L652-Y697 HydrophobicContact CD2-CE1 3.67Å; R657-Y697 PolarHBondContact NH1-O 2.93Å; L693-Y697 HydrophobicContact CD1-CE2 4.44Å; L693-Y697 HydrophobicContact CG-CE2 3.96Å; L693-Y697 WeakPolarHBondContact O-CD2 3.43Å; L693-Y697 PolarHBondContact O-N 2.9Å; E694-Y697 WeakPolarHBondContact O-CB 3.46Å; E694-Y697 PolarHBondContact O-N 2.84Å; K695-Y697 PolarHBondContact O-N 3.09Å; Y697-V700 VanDerWaalsContact O-CG2 3.31Å; Y697-V700 WeakPolarHBondContact O-CG2 3.36Å
698	D	90.4	Very high	90.9	Very high	50 Å²	50	29.4 Å²	29.4	27%	0.267	15%	0.152	S	C	.	.	H	α-helix	trans	-74.2	-31.8	173	-68.9	-18.1	0	0	0	111.5	H618 Y621 K695 K696 V700 L701	H618-D698 HydrophobicContact CB-CB 4.35Å; Y621-D698 PolarHBondContact OH-O 2.84Å; K695-D698 WeakPolarHBondContact O-CB 3.24Å; K695-D698 PolarHBondContact O-N 3.25Å; K695-D698 VanDerWaalsContact O-N 3.12Å; K696-D698 VanDerWaalsContact C-N 3.3Å; K696-D698 PolarHBondContact O-N 2.71Å; D698-V700 VanDerWaalsContact C-N 3.29Å; D698-V700 PolarHBondContact O-N 3.08Å; D698-L701 WeakPolarHBondContact O-CD1 3.43Å; D698-L701 WeakPolarHBondContact O-CG 3.47Å; D698-L701 PolarHBondContact O-N 3.42Å
699	A	92.7	Very high	91.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.9	-23.7	-180	0	0	0	0	0	113.1	F683 Y685 P687 K695 K696 N704	F683-A699 WeakPolarHBondContact CD1-O 3.29Å; Y685-A699 HydrophobicContact CD1-CB 3.67Å; Y685-A699 HydrophobicContact CE1-CB 3.78Å; P687-A699 HydrophobicContact CB-CB 3.74Å; P687-A699 HydrophobicContact CG-CB 3.69Å; K695-A699 PolarHBondContact O-N 2.77Å; K696-A699 PolarHBondContact O-N 2.94Å; A699-N704 PolarHBondContact O-ND2 3.34Å
700	V	93.6	Very high	91.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	15.2	179.2	-60.7	0	0	0	0	113.3	L652 C655 V656 R657 F683 P687 K696 Y697 D698	L652-V700 HydrophobicContact CD2-CG2 4.49Å; C655-V700 VanDerWaalsContact SG-CG2 3.58Å; V656-V700 CarbonylContact C-O 3.58Å; V656-V700 WeakPolarHBondContact CA-O 3.36Å; R657-V700 HydrophobicContact CG-CG2 4.16Å; R657-V700 PolarHBondContact N-O 3.18Å; F683-V700 HydrophobicContact CE1-CB 4.45Å; F683-V700 HydrophobicContact CE2-CG1 4.44Å; F683-V700 HydrophobicContact CZ-CB 4.17Å; F683-V700 HydrophobicContact CZ-CG1 4.18Å; P687-V700 HydrophobicContact CB-CG1 4.35Å; P687-V700 HydrophobicContact CG-CG1 3.92Å; K696-V700 PolarHBondContact O-N 3.05Å; Y697-V700 VanDerWaalsContact O-CG2 3.31Å; Y697-V700 WeakPolarHBondContact O-CG2 3.36Å; D698-V700 VanDerWaalsContact C-N 3.29Å; D698-V700 PolarHBondContact O-N 3.08Å
701	L	93.9	Very high	91.7	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.052	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-67.3	143.6	173.5	-71.1	171.1	0	0	0	111.4	R657 D659 D698 T703 N704	R657-L701 HydrophobicContact CB-CD2 4.16Å; R657-L701 CarbonylContact O-C 3.55Å; R657-L701 WeakPolarHBondContact O-CA 3.15Å; D659-L701 HydrophobicContact CB-CD2 4.27Å; D698-L701 WeakPolarHBondContact O-CD1 3.43Å; D698-L701 WeakPolarHBondContact O-CG 3.47Å; D698-L701 PolarHBondContact O-N 3.42Å; L701-T703 PolarHBondContact O-N 3.34Å; L701-N704 WeakPolarHBondContact O-CB 3.33Å; L701-N704 PolarHBondContact O-N 3.12Å
702	I	93.6	Very high	92.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-61.9	-28.8	178.8	-162.4	164.1	0	0	0	112.3	L556 V656 R657 D659 Q668 N704 T705	L556-I702 HydrophobicContact CD1-CD1 4.06Å; V656-I702 HydrophobicContact CG1-CB 3.76Å; V656-I702 HydrophobicContact CG1-CD1 4.29Å; V656-I702 HydrophobicContact CG1-CG1 3.92Å; R657-I702 PolarHBondContact O-N 3.49Å; D659-I702 HydrophobicContact CB-CG2 4.46Å; Q668-I702 HydrophobicContact CB-CD1 4.18Å; Q668-I702 HydrophobicContact CB-CG1 4.17Å; Q668-I702 WeakPolarHBondContact O-CD1 3.4Å; I702-N704 PolarHBondContact O-N 3.4Å; I702-T705 WeakPolarHBondContact O-CB 3.44Å; I702-T705 PolarHBondContact O-N 3.5Å; I702-T705 PolarHBondContact O-OG1 2.8Å
703	T	95.4	Very high	93.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-69.7	-10.5	175.1	47.4	0	0	0	0	113.7	L616 Y625 P632 D659 V662 L701	L616-T703 HydrophobicContact CD1-CG2 3.88Å; Y625-T703 HydrophobicContact CD2-CG2 3.92Å; Y625-T703 WeakPolarHBondContact CD2-O 3.19Å; Y625-T703 HydrophobicContact CE1-CG2 4.48Å; Y625-T703 HydrophobicContact CE2-CG2 3.79Å; Y625-T703 HydrophobicContact CG-CG2 4.32Å; P632-T703 VanDerWaalsContact CD-O 3.28Å; P632-T703 WeakPolarHBondContact CD-O 3.39Å; P632-T703 WeakPolarHBondContact CG-O 3.07Å; D659-T703 HydrophobicContact CB-CG2 3.53Å; D659-T703 WeakPolarHBondContact OD2-CG2 3.39Å; D659-T703 PolarHBondContact OD2-OG1 2.94Å; V662-T703 HydrophobicContact CB-CG2 3.96Å; V662-T703 HydrophobicContact CG1-CG2 4.48Å; V662-T703 HydrophobicContact CG2-CG2 3.59Å; L701-T703 PolarHBondContact O-N 3.34Å
704	N	97	Very high	93.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-98.8	0.3	171.7	-173.1	35.6	0	0	0	112.6	Y621 F683 L684 Y685 A699 L701 I702	Y621-N704 HydrophobicContact CE2-CB 4.41Å; F683-N704 WeakPolarHBondContact CA-O 3.03Å; F683-N704 HydrophobicContact CD1-CB 4.37Å; L684-N704 PolarHBondContact N-O 3.45Å; L684-N704 VanDerWaalsContact N-O 3.08Å; L684-N704 PolarHBondContact N-OD1 2.94Å; Y685-N704 PolarHBondContact N-OD1 2.94Å; Y685-N704 PolarHBondContact O-ND2 2.54Å; A699-N704 PolarHBondContact O-ND2 3.34Å; L701-N704 WeakPolarHBondContact O-CB 3.33Å; L701-N704 PolarHBondContact O-N 3.12Å; I702-N704 PolarHBondContact O-N 3.4Å
705	T	95.6	Very high	94.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.1	-177.7	66.8	0	0	0	0	112.8	V656 Q668 Y681 A682 F683 I702	V656-T705 HydrophobicContact CG1-CG2 4.23Å; Q668-T705 PolarHBondContact NE2-O 2.81Å; Q668-T705 PolarHBondContact OE1-OG1 3.43Å; Y681-T705 HydrophobicContact CD2-CG2 4.08Å; A682-T705 CarbonylContact O-C 3.4Å; A682-T705 VanDerWaalsContact O-CA 3.32Å; A682-T705 WeakPolarHBondContact O-CA 3.47Å; F683-T705 HydrophobicContact CD1-CG2 3.83Å; F683-T705 HydrophobicContact CE1-CG2 3.49Å; F683-T705 VanDerWaalsContact CE1-CG2 3.49Å; F683-T705 HydrophobicContact CZ-CG2 4.42Å; I702-T705 WeakPolarHBondContact O-CB 3.44Å; I702-T705 PolarHBondContact O-N 3.5Å; I702-T705 PolarHBondContact O-OG1 2.8Å
706	V	96.7	Very high	95.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.2	175.2	-70.2	0	0	0	0	110.7	M631 Y681 A682 L684 M708 Y770	M631-V706 HydrophobicContact CB-CG1 4.17Å; M631-V706 HydrophobicContact SD-CG1 4.13Å; Y681-V706 WeakPolarHBondContact CA-O 3.23Å; A682-V706 PolarHBondContact N-O 3.32Å; A682-V706 PolarHBondContact O-N 2.92Å; L684-V706 HydrophobicContact CD1-CG1 3.89Å; L684-V706 HydrophobicContact CD2-CG1 4.05Å; L684-V706 HydrophobicContact CD2-CG2 3.87Å; L684-V706 HydrophobicContact CG-CG1 3.8Å; L684-V706 HydrophobicContact CG-CG2 4.1Å; V706-M708 HydrophobicContact CG2-CE 3.76Å; V706-M708 HydrophobicContact CG2-CG 4.44Å; V706-M708 PolarHBondContact O-N 2.78Å; V706-Y770 HydrophobicContact CB-CE1 4.03Å; V706-Y770 WeakPolarHBondContact CB-OH 3.42Å; V706-Y770 HydrophobicContact CG1-CE1 4.41Å; V706-Y770 HydrophobicContact CG2-CE1 3.75Å
707	P	96.1	Very high	95.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.7	-178.2	28.5	-33.8	0	0	0	111.7	M631 Y673 V679 T680 V760 V764 Y770 H800	M631-P707 HydrophobicContact CE-CG 3.87Å; Y673-P707 HydrophobicContact CE1-CB 3.94Å; V679-P707 HydrophobicContact CG1-CB 3.77Å; T680-P707 CarbonylContact O-C 3.48Å; T680-P707 WeakPolarHBondContact O-CA 3.07Å; P707-V760 HydrophobicContact CB-CG2 3.9Å; P707-V764 HydrophobicContact CG-CG1 4.26Å; P707-Y770 PolarHBondContact O-OH 3.42Å; P707-H800 PolarHBondContact O-CE1 2.78Å; P707-H800 VanDerWaalsContact O-CE1 3.26Å
708	M	96.3	Very high	95.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.8	-179.4	-73.7	-168.5	-179.1	0	0	113.1	T680 A682 V706 F712 W716 Y770 H800	T680-M708 CarbonylContact C-O 3.6Å; T680-M708 WeakPolarHBondContact CG2-O 3.29Å; T680-M708 PolarHBondContact N-O 2.93Å; T680-M708 PolarHBondContact O-N 3.01Å; T680-M708 VanDerWaalsContact O-O 3.12Å; A682-M708 HydrophobicContact CB-CB 4.34Å; A682-M708 HydrophobicContact CB-CE 4.23Å; A682-M708 HydrophobicContact CB-CG 4.07Å; A682-M708 HydrophobicContact CB-SD 3.39Å; A682-M708 WeakPolarHBondContact CB-SD 3.44Å; V706-M708 HydrophobicContact CG2-CE 3.76Å; V706-M708 HydrophobicContact CG2-CG 4.44Å; V706-M708 PolarHBondContact O-N 2.78Å; M708-F712 HydrophobicContact CE-CD1 4.33Å; M708-F712 HydrophobicContact CE-CE1 3.95Å; M708-F712 HydrophobicContact CG-CD1 4.18Å; M708-F712 HydrophobicContact SD-CD1 3.77Å; M708-F712 HydrophobicContact SD-CE1 3.98Å; M708-W716 HydrophobicContact CE-CB 4.38Å; M708-W716 HydrophobicContact CE-CD2 3.65Å; M708-W716 HydrophobicContact CE-CE3 4.26Å; M708-W716 HydrophobicContact CE-CG 3.67Å; M708-W716 HydrophobicContact CE-CZ2 4.42Å; M708-W716 HydrophobicContact SD-CB 3.92Å; M708-W716 HydrophobicContact SD-CD2 4.33Å; M708-W716 HydrophobicContact SD-CG 3.72Å; M708-Y770 HydrophobicContact CE-CD1 3.86Å; M708-Y770 HydrophobicContact CE-CD2 3.96Å; M708-Y770 HydrophobicContact CE-CE1 3.59Å; M708-Y770 HydrophobicContact CE-CE2 3.67Å; M708-Y770 HydrophobicContact CE-CG 4.03Å; M708-Y770 VanDerWaalsContact CE-CZ 3.46Å; M708-Y770 HydrophobicContact CG-CE2 3.78Å; M708-Y770 WeakPolarHBondContact CG-OH 3.37Å; M708-Y770 HydrophobicContact SD-CE2 4.43Å; M708-H800 VanDerWaalsContact CA-NE2 3.29Å; M708-H800 WeakPolarHBondContact CA-NE2 3.37Å
709	Y	97	Very high	96.2	Very high	30 Å²	30	18.4 Å²	18.4	12%	0.118	9%	0.093	C	C	.	.			trans	-63.6	141	166.9	-71.4	-61.7	0	0	0	110.3	H678 V679 A711 F712 K713 V766 H800 R801 P802	H678-Y709 VanDerWaalsContact O-CD1 3.29Å; H678-Y709 WeakPolarHBondContact O-CD1 3.2Å; V679-Y709 HydrophobicContact CG2-CD1 3.97Å; V679-Y709 HydrophobicContact CG2-CE1 3.62Å; Y709-A711 PolarHBondContact O-N 2.95Å; Y709-F712 PolarHBondContact O-N 2.89Å; Y709-K713 PolarHBondContact O-N 2.87Å; Y709-V766 HydrophobicContact CE2-CG1 4.46Å; Y709-H800 AromaticContact CD2-CD2 3.61Å; Y709-H800 AromaticContact CD2-CE1 3.54Å; Y709-H800 AromaticContact CD2-NE2 3.25Å; Y709-H800 WeakPolarHBondContact CD2-NE2 3.47Å; Y709-H800 AromaticContact CE2-CE1 3.86Å; Y709-H800 AromaticContact CG-NE2 3.75Å; Y709-H800 PolarHBondContact N-NE2 2.71Å; Y709-R801 WeakPolarHBondContact CB-O 3.21Å; Y709-R801 WeakPolarHBondContact CD2-O 3.47Å; Y709-P802 HydrophobicContact CD1-CB 3.87Å; Y709-P802 HydrophobicContact CD2-CB 4.35Å; Y709-P802 HydrophobicContact CE1-CB 3.96Å; Y709-P802 HydrophobicContact CE2-CB 4.41Å; Y709-P802 HydrophobicContact CG-CB 4.11Å
710	P	96	Very high	96.3	Very high	72 Å²	72	19.1 Å²	19.1	47%	0.468	10%	0.096	S	C	.	.	H	α-helix	trans	-54.2	-38.1	176.1	-28.3	35.5	0	0	0	113.7	H678 T680 K713 R714	H678-P710 WeakPolarHBondContact O-CD 3.43Å; T680-P710 HydrophobicContact CG2-CG 4.28Å; P710-K713 PolarHBondContact O-N 2.94Å; P710-R714 PolarHBondContact O-N 2.87Å
711	A	96.8	Very high	96.3	Very high	17 Å²	17	27.1 Å²	27.1	14%	0.14	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-44.4	176.1	0	0	0	0	0	112.3	Y709 R714 P802 N804	Y709-A711 PolarHBondContact O-N 2.95Å; A711-R714 WeakPolarHBondContact O-CB 3.41Å; A711-R714 PolarHBondContact O-N 2.84Å; A711-P802 VanDerWaalsContact CB-O 3.3Å; A711-P802 WeakPolarHBondContact CB-O 3.43Å; A711-N804 PolarHBondContact O-ND2 3.11Å
712	F	98.2	Very high	96.3	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-69.9	-33.9	176.8	-172.3	-94.6	0	0	0	112.5	M708 Y709 R714 I715 W716 Y770 L798 P799 H800	M708-F712 HydrophobicContact CE-CD1 4.33Å; M708-F712 HydrophobicContact CE-CE1 3.95Å; M708-F712 HydrophobicContact CG-CD1 4.18Å; M708-F712 HydrophobicContact SD-CD1 3.77Å; M708-F712 HydrophobicContact SD-CE1 3.98Å; Y709-F712 PolarHBondContact O-N 2.89Å; F712-R714 PolarHBondContact O-N 3.02Å; F712-R714 VanDerWaalsContact O-N 3.13Å; F712-I715 HydrophobicContact CD2-CD1 4.14Å; F712-I715 WeakPolarHBondContact O-CA 3.37Å; F712-I715 WeakPolarHBondContact O-CB 3.27Å; F712-I715 PolarHBondContact O-N 2.95Å; F712-W716 HydrophobicContact CD1-CB 4.36Å; F712-W716 HydrophobicContact CE1-CB 4.16Å; F712-W716 HydrophobicContact CE1-CE3 4.15Å; F712-W716 HydrophobicContact CZ-CE3 4.46Å; F712-W716 PolarHBondContact O-N 3.06Å; F712-Y770 HydrophobicContact CD1-CD2 4.14Å; F712-Y770 HydrophobicContact CD1-CE2 4.37Å; F712-Y770 AromaticContact CE1-CD2 3.4Å; F712-Y770 HydrophobicContact CE1-CD2 3.4Å; F712-Y770 VanDerWaalsContact CE1-CD2 3.4Å; F712-Y770 HydrophobicContact CE1-CE2 4.02Å; F712-Y770 HydrophobicContact CE1-CG 4.04Å; F712-Y770 AromaticContact CZ-CD2 3.7Å; F712-Y770 HydrophobicContact CZ-CD2 3.7Å; F712-Y770 HydrophobicContact CZ-CG 4.2Å; F712-L798 HydrophobicContact CE2-CB 3.77Å; F712-L798 HydrophobicContact CZ-CB 3.87Å; F712-L798 HydrophobicContact CZ-CD1 4.39Å; F712-P799 VanDerWaalsContact CD2-O 3.3Å; F712-P799 WeakPolarHBondContact CD2-O 3.34Å; F712-P799 WeakPolarHBondContact CE2-O 3.45Å; F712-H800 AromaticContact CD1-CD2 3.8Å; F712-H800 AromaticContact CG-CD2 3.59Å
713	K	96.6	Very high	96.5	Very high	68 Å²	68	28.1 Å²	28.1	30%	0.296	14%	0.136	S	C	.	.	H	α-helix	trans	-57.7	-28	176.2	-170.6	169.5	177.9	167.9	0	112.2	T680 Y681 Y709 P710 T717	T680-K713 HydrophobicContact CG2-CD 3.77Å; Y681-K713 PolarHBondContact O-NZ 3.38Å; Y709-K713 PolarHBondContact O-N 2.87Å; P710-K713 PolarHBondContact O-N 2.94Å; K713-T717 WeakPolarHBondContact O-CB 3.49Å; K713-T717 PolarHBondContact O-N 2.66Å; K713-T717 PolarHBondContact O-OG1 2.79Å
714	R	97.3	Very high	96.5	Very high	80 Å²	80	28.1 Å²	28.1	30%	0.302	14%	0.136	S	C	.	.	H	α-helix	trans	-62.4	-48.1	171.4	-64.4	178.3	62.1	-153.6	-5	112	P710 A711 F712 Y718 S810 E812 E814	P710-R714 PolarHBondContact O-N 2.87Å; A711-R714 WeakPolarHBondContact O-CB 3.41Å; A711-R714 PolarHBondContact O-N 2.84Å; F712-R714 PolarHBondContact O-N 3.02Å; F712-R714 VanDerWaalsContact O-N 3.13Å; R714-Y718 WeakPolarHBondContact O-CB 3.44Å; R714-Y718 PolarHBondContact O-N 3.28Å; R714-S810 PolarHBondContact NH1-O 3.34Å; R714-S810 PolarHBondContact NH2-O 2.86Å; R714-E812 PolarHBondContact NH2-O 3.47Å; R714-E814 HydrophobicContact CB-CG 4.35Å; R714-E814 IonicContact CZ-OE1 3.59Å; R714-E814 VanDerWaalsContact CZ-OE1 3.25Å; R714-E814 IonicContact NE-OE1 2.75Å; R714-E814 PolarHBondContact NE-OE1 3.49Å; R714-E814 IonicContact NH2-OE1 2.73Å; R714-E814 PolarHBondContact NH2-OE1 3.37Å
715	I	98.3	Very high	96.4	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-52.2	175.3	-63.8	161.4	0	0	0	109.7	F712 T717 Y718 F719 L798 N804 W817 V818 L821	F712-I715 HydrophobicContact CD2-CD1 4.14Å; F712-I715 WeakPolarHBondContact O-CA 3.37Å; F712-I715 WeakPolarHBondContact O-CB 3.27Å; F712-I715 PolarHBondContact O-N 2.95Å; I715-T717 PolarHBondContact O-N 3.35Å; I715-Y718 PolarHBondContact O-N 2.97Å; I715-F719 WeakPolarHBondContact O-CB 3.12Å; I715-F719 PolarHBondContact O-N 2.95Å; I715-L798 HydrophobicContact CG2-CD1 4.16Å; I715-N804 WeakPolarHBondContact CD1-OD1 3.28Å; I715-W817 HydrophobicContact CD1-CH2 4.13Å; I715-W817 HydrophobicContact CD1-CZ3 4.07Å; I715-W817 HydrophobicContact CG1-CH2 3.55Å; I715-W817 HydrophobicContact CG1-CZ3 3.71Å; I715-V818 HydrophobicContact CB-CG1 4.48Å; I715-V818 HydrophobicContact CG1-CG2 4.35Å; I715-V818 HydrophobicContact CG2-CG1 4.02Å; I715-L821 HydrophobicContact CD1-CD2 3.37Å; I715-L821 HydrophobicContact CG1-CD2 3.98Å
716	W	98.1	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-44.5	-176.6	-167	-110.4	0	0	0	112.9	F683 L684 M708 F712 F719 Q720 V738 V772	F683-W716 PolarHBondContact O-NE1 2.99Å; F683-W716 VanDerWaalsContact O-NE1 3.07Å; L684-W716 HydrophobicContact CD2-CZ2 4.12Å; M708-W716 HydrophobicContact CE-CB 4.38Å; M708-W716 HydrophobicContact CE-CD2 3.65Å; M708-W716 HydrophobicContact CE-CE3 4.26Å; M708-W716 HydrophobicContact CE-CG 3.67Å; M708-W716 HydrophobicContact CE-CZ2 4.42Å; M708-W716 HydrophobicContact SD-CB 3.92Å; M708-W716 HydrophobicContact SD-CD2 4.33Å; M708-W716 HydrophobicContact SD-CG 3.72Å; F712-W716 HydrophobicContact CD1-CB 4.36Å; F712-W716 HydrophobicContact CE1-CB 4.16Å; F712-W716 HydrophobicContact CE1-CE3 4.15Å; F712-W716 HydrophobicContact CZ-CE3 4.46Å; F712-W716 PolarHBondContact O-N 3.06Å; W716-F719 HydrophobicContact CE3-CD1 4.2Å; W716-F719 HydrophobicContact CH2-CD1 4.44Å; W716-F719 HydrophobicContact CH2-CE1 4.28Å; W716-F719 HydrophobicContact CZ3-CD1 4.13Å; W716-F719 HydrophobicContact CZ3-CE1 4.29Å; W716-F719 WeakPolarHBondContact O-CB 3.46Å; W716-F719 PolarHBondContact O-N 3.36Å; W716-Q720 VanDerWaalsContact NE1-CD 3.28Å; W716-Q720 WeakPolarHBondContact O-CG 3.15Å; W716-Q720 PolarHBondContact O-N 3.13Å; W716-V738 HydrophobicContact CH2-CB 3.96Å; W716-V738 HydrophobicContact CH2-CG1 4.05Å; W716-V738 HydrophobicContact CH2-CG2 4.46Å; W716-V738 HydrophobicContact CZ2-CB 4.45Å; W716-V738 HydrophobicContact CZ2-CG2 4.47Å; W716-V772 HydrophobicContact CH2-CG2 4.11Å; W716-V772 HydrophobicContact CZ3-CG2 3.8Å
717	T	95.9	Very high	96.4	Very high	59 Å²	59	36.2 Å²	36.2	36%	0.362	17%	0.171	S	C	.	.	H	α-helix	trans	-65.2	-42.8	179	-56	0	0	0	0	111.2	K713 I715 Q720 R721	K713-T717 WeakPolarHBondContact O-CB 3.49Å; K713-T717 PolarHBondContact O-N 2.66Å; K713-T717 PolarHBondContact O-OG1 2.79Å; I715-T717 PolarHBondContact O-N 3.35Å; T717-Q720 PolarHBondContact O-N 2.78Å; T717-R721 WeakPolarHBondContact O-CB 3.35Å; T717-R721 PolarHBondContact O-N 3.28Å
718	Y	97.5	Very high	96.4	Very high	42 Å²	42	36.2 Å²	36.2	17%	0.165	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-42.7	176.4	-176	-94.6	0	0	0	111.6	R714 I715 Q720 R721 A722 L723 E814 S815 V818	R714-Y718 WeakPolarHBondContact O-CB 3.44Å; R714-Y718 PolarHBondContact O-N 3.28Å; I715-Y718 PolarHBondContact O-N 2.97Å; Y718-Q720 PolarHBondContact O-N 2.87Å; Y718-R721 PolarHBondContact O-N 3.05Å; Y718-A722 HydrophobicContact CD1-CB 4.43Å; Y718-A722 HydrophobicContact CD2-CB 4.09Å; Y718-A722 HydrophobicContact CE1-CB 4.12Å; Y718-A722 HydrophobicContact CE2-CB 3.75Å; Y718-A722 HydrophobicContact CG-CB 4.41Å; Y718-A722 WeakPolarHBondContact O-CA 3.5Å; Y718-A722 WeakPolarHBondContact O-CB 3.33Å; Y718-A722 PolarHBondContact O-N 3.26Å; Y718-L723 HydrophobicContact CD1-CD1 4.07Å; Y718-L723 HydrophobicContact CD1-CG 3.98Å; Y718-L723 HydrophobicContact CE1-CD1 4.05Å; Y718-L723 HydrophobicContact CE1-CD2 3.83Å; Y718-L723 HydrophobicContact CE1-CG 3.71Å; Y718-L723 PolarHBondContact O-N 2.91Å; Y718-E814 HydrophobicContact CD1-CB 4.39Å; Y718-E814 HydrophobicContact CD2-CB 3.38Å; Y718-E814 HydrophobicContact CD2-CG 4.46Å; Y718-E814 HydrophobicContact CE2-CB 4.07Å; Y718-E814 HydrophobicContact CG-CB 3.57Å; Y718-E814 HydrophobicContact CG-CG 4.48Å; Y718-S815 VanDerWaalsContact CZ-CA 3.5Å; Y718-S815 VanDerWaalsContact OH-CA 3.29Å; Y718-S815 WeakPolarHBondContact OH-CA 3.29Å; Y718-S815 WeakPolarHBondContact OH-CB 3.41Å; Y718-V818 HydrophobicContact CD1-CB 3.68Å; Y718-V818 HydrophobicContact CD1-CG1 3.64Å; Y718-V818 HydrophobicContact CD1-CG2 4.29Å; Y718-V818 HydrophobicContact CE1-CB 4.24Å; Y718-V818 HydrophobicContact CE1-CG1 4.45Å; Y718-V818 HydrophobicContact CG-CB 4.3Å; Y718-V818 HydrophobicContact CG-CG1 4.36Å; Y718-V818 HydrophobicContact CG-CG2 4.42Å
719	F	97.8	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-54.8	-54.9	173.6	164.8	-109	0	0	0	111.4	I715 W716 R721 L723 V724 Y727 L736 V772 L774 M822	I715-F719 WeakPolarHBondContact O-CB 3.12Å; I715-F719 PolarHBondContact O-N 2.95Å; W716-F719 HydrophobicContact CE3-CD1 4.2Å; W716-F719 HydrophobicContact CH2-CD1 4.44Å; W716-F719 HydrophobicContact CH2-CE1 4.28Å; W716-F719 HydrophobicContact CZ3-CD1 4.13Å; W716-F719 HydrophobicContact CZ3-CE1 4.29Å; W716-F719 WeakPolarHBondContact O-CB 3.46Å; W716-F719 PolarHBondContact O-N 3.36Å; F719-R721 PolarHBondContact O-N 3.18Å; F719-L723 HydrophobicContact CD2-CB 4.03Å; F719-L723 HydrophobicContact CD2-CD1 4.41Å; F719-L723 PolarHBondContact O-N 2.96Å; F719-L723 VanDerWaalsContact O-N 3.09Å; F719-V724 HydrophobicContact CD1-CG2 4.39Å; F719-V724 HydrophobicContact CD2-CG2 4.33Å; F719-V724 HydrophobicContact CE1-CG2 3.93Å; F719-V724 HydrophobicContact CE2-CG2 3.87Å; F719-V724 HydrophobicContact CZ-CG2 3.65Å; F719-V724 WeakPolarHBondContact O-CG2 3.36Å; F719-V724 PolarHBondContact O-N 2.91Å; F719-Y727 HydrophobicContact CE2-CE2 4.37Å; F719-L736 HydrophobicContact CE1-CD2 4.31Å; F719-L736 HydrophobicContact CZ-CD2 3.6Å; F719-V772 HydrophobicContact CE1-CG1 4.25Å; F719-V772 HydrophobicContact CE1-CG2 3.97Å; F719-V772 HydrophobicContact CE2-CG1 4Å; F719-V772 HydrophobicContact CZ-CB 4.37Å; F719-V772 HydrophobicContact CZ-CG1 3.47Å; F719-V772 VanDerWaalsContact CZ-CG1 3.47Å; F719-V772 HydrophobicContact CZ-CG2 3.96Å; F719-L774 HydrophobicContact CZ-CD2 4.47Å; F719-M822 HydrophobicContact CB-SD 4.15Å; F719-M822 HydrophobicContact CD2-CE 3.56Å; F719-M822 HydrophobicContact CD2-SD 3.89Å; F719-M822 HydrophobicContact CE2-CE 3.95Å; F719-M822 HydrophobicContact CG-CE 4.29Å; F719-M822 HydrophobicContact CG-SD 4.33Å
720	Q	95.4	Very high	96.3	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.07	21%	0.211	C	C	.	.	I	π-helix	trans	-65	-41	-178.1	-72.2	-177.8	-29.7	0	0	113.1	F683 L684 P686 W716 T717 Y718	F683-Q720 PolarHBondContact O-NE2 3.3Å; L684-Q720 PolarHBondContact O-NE2 2.95Å; P686-Q720 HydrophobicContact CB-CB 4.03Å; P686-Q720 HydrophobicContact CB-CG 4.19Å; P686-Q720 HydrophobicContact CG-CB 4.13Å; P686-Q720 HydrophobicContact CG-CG 4.15Å; W716-Q720 VanDerWaalsContact NE1-CD 3.28Å; W716-Q720 WeakPolarHBondContact O-CG 3.15Å; W716-Q720 PolarHBondContact O-N 3.13Å; T717-Q720 PolarHBondContact O-N 2.78Å; Y718-Q720 PolarHBondContact O-N 2.87Å
721	R	92.3	Very high	96.2	Very high	169 Å²	169	42.1 Å²	42.1	64%	0.638	20%	0.196	S	C	*	.	I	π-helix	trans	-82.7	-33.4	-174.9	-165.7	-175.2	92.1	-175.8	3.5	113.6	L645 T717 Y718 F719	L645-R721 HydrophobicContact CD1-CG 4.33Å; L645-R721 WeakPolarHBondContact CD1-O 3.41Å; T717-R721 WeakPolarHBondContact O-CB 3.35Å; T717-R721 PolarHBondContact O-N 3.28Å; Y718-R721 PolarHBondContact O-N 3.05Å; F719-R721 PolarHBondContact O-N 3.18Å
722	A	94.8	Very high	96.2	Very high	31 Å²	31	42.5 Å²	42.5	26%	0.256	20%	0.196	S	C	.	.	I	π-helix	trans	-113.2	-55.7	-173.4	0	0	0	0	0	111.8	Y718 K725 K726	Y718-A722 HydrophobicContact CD1-CB 4.43Å; Y718-A722 HydrophobicContact CD2-CB 4.09Å; Y718-A722 HydrophobicContact CE1-CB 4.12Å; Y718-A722 HydrophobicContact CE2-CB 3.75Å; Y718-A722 HydrophobicContact CG-CB 4.41Å; Y718-A722 WeakPolarHBondContact O-CA 3.5Å; Y718-A722 WeakPolarHBondContact O-CB 3.33Å; Y718-A722 PolarHBondContact O-N 3.26Å; A722-K725 PolarHBondContact O-N 2.72Å; A722-K726 PolarHBondContact O-N 3.16Å
723	L	96.9	Very high	96.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	20%	0.197	C	C	.	.	I	π-helix	trans	-73	-38.3	-169.5	-61.1	-179.9	0	0	0	113	Y718 F719 K725 K726 Y727 V818 E819 M822	Y718-L723 HydrophobicContact CD1-CD1 4.07Å; Y718-L723 HydrophobicContact CD1-CG 3.98Å; Y718-L723 HydrophobicContact CE1-CD1 4.05Å; Y718-L723 HydrophobicContact CE1-CD2 3.83Å; Y718-L723 HydrophobicContact CE1-CG 3.71Å; Y718-L723 PolarHBondContact O-N 2.91Å; F719-L723 HydrophobicContact CD2-CB 4.03Å; F719-L723 HydrophobicContact CD2-CD1 4.41Å; F719-L723 PolarHBondContact O-N 2.96Å; F719-L723 VanDerWaalsContact O-N 3.09Å; L723-K725 VanDerWaalsContact C-N 3.31Å; L723-K725 PolarHBondContact O-N 3.04Å; L723-K726 HydrophobicContact CD2-CD 4.28Å; L723-K726 WeakPolarHBondContact O-CB 3.27Å; L723-K726 PolarHBondContact O-N 3.23Å; L723-Y727 HydrophobicContact CB-CD2 4.3Å; L723-Y727 HydrophobicContact CB-CE2 3.79Å; L723-Y727 WeakPolarHBondContact O-CD2 3.29Å; L723-Y727 VanDerWaalsContact O-CG 3.25Å; L723-Y727 PolarHBondContact O-N 2.93Å; L723-V818 HydrophobicContact CD1-CG1 4.45Å; L723-E819 HydrophobicContact CD1-CB 4.48Å; L723-E819 HydrophobicContact CD2-CB 4.41Å; L723-E819 HydrophobicContact CD2-CG 4.29Å; L723-M822 HydrophobicContact CD1-SD 3.44Å; L723-M822 WeakPolarHBondContact CD1-SD 3.35Å
724	V	96.4	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.7	-45.6	175.4	171.2	0	0	0	0	111.2	V639 L689 F719 Y727 A728 L736	V639-V724 HydrophobicContact CB-CG1 4.3Å; V639-V724 HydrophobicContact CG1-CG1 4.21Å; V639-V724 HydrophobicContact CG2-CG1 3.78Å; L689-V724 HydrophobicContact CD1-CG1 4.17Å; F719-V724 HydrophobicContact CD1-CG2 4.39Å; F719-V724 HydrophobicContact CD2-CG2 4.33Å; F719-V724 HydrophobicContact CE1-CG2 3.93Å; F719-V724 HydrophobicContact CE2-CG2 3.87Å; F719-V724 HydrophobicContact CZ-CG2 3.65Å; F719-V724 WeakPolarHBondContact O-CG2 3.36Å; F719-V724 PolarHBondContact O-N 2.91Å; V724-Y727 PolarHBondContact O-N 3.03Å; V724-A728 WeakPolarHBondContact O-CB 3.49Å; V724-A728 PolarHBondContact O-N 3.13Å; V724-L736 HydrophobicContact CG1-CD1 3.93Å; V724-L736 HydrophobicContact CG1-CD2 4.49Å; V724-L736 HydrophobicContact CG2-CD2 3.79Å
725	K	95.3	Very high	96.2	Very high	88 Å²	88	36 Å²	36	38%	0.383	17%	0.171	S	C	.	.	H	α-helix	trans	-63.4	-46.2	176.3	-177	175.4	-178	178.9	0	111.3	V643 L645 A722 L723 Y727 A728 T729	V643-K725 HydrophobicContact CG1-CB 4.47Å; V643-K725 HydrophobicContact CG1-CG 4.12Å; L645-K725 HydrophobicContact CD1-CB 4.36Å; L645-K725 HydrophobicContact CD1-CD 4.05Å; A722-K725 PolarHBondContact O-N 2.72Å; L723-K725 VanDerWaalsContact C-N 3.31Å; L723-K725 PolarHBondContact O-N 3.04Å; K725-Y727 PolarHBondContact O-N 2.89Å; K725-A728 PolarHBondContact O-N 2.87Å; K725-T729 PolarHBondContact O-N 3.46Å; K725-T729 PolarHBondContact O-OG1 2.66Å; K725-T729 VanDerWaalsContact O-OG1 3.1Å
726	K	95.9	Very high	96.2	Very high	71 Å²	71	35.8 Å²	35.8	31%	0.309	17%	0.17	S	C	.	.	H	α-helix	trans	-54.3	-52.5	175.9	176.1	-179.6	169.6	179.6	0	111.1	A722 L723 A728 T729 E730 E819	A722-K726 PolarHBondContact O-N 3.16Å; L723-K726 HydrophobicContact CD2-CD 4.28Å; L723-K726 WeakPolarHBondContact O-CB 3.27Å; L723-K726 PolarHBondContact O-N 3.23Å; K726-A728 PolarHBondContact O-N 3.43Å; K726-T729 PolarHBondContact O-N 3.35Å; K726-E730 WeakPolarHBondContact CE-OE1 3.12Å; K726-E730 HydrophobicContact CG-CG 4.44Å; K726-E730 VanDerWaalsContact CG-OE1 3.26Å; K726-E730 WeakPolarHBondContact CG-OE1 3.36Å; K726-E730 WeakPolarHBondContact O-CB 3.34Å; K726-E730 WeakPolarHBondContact O-CG 3.45Å; K726-E730 PolarHBondContact O-N 3.22Å; K726-E819 VanDerWaalsContact NZ-CD 3.32Å; K726-E819 IonicContact NZ-OE1 3.16Å; K726-E819 PolarHBondContact NZ-OE1 3.29Å; K726-E819 VanDerWaalsContact NZ-OE1 3.16Å; K726-E819 IonicContact NZ-OE2 2.96Å; K726-E819 PolarHBondContact NZ-OE2 3.35Å
727	Y	96.2	Very high	96.2	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.047	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-40.8	179.8	-61.8	-41.9	0	0	0	112.8	F719 L723 V724 K725 T729 E730 R731 L774	F719-Y727 HydrophobicContact CE2-CE2 4.37Å; L723-Y727 HydrophobicContact CB-CD2 4.3Å; L723-Y727 HydrophobicContact CB-CE2 3.79Å; L723-Y727 WeakPolarHBondContact O-CD2 3.29Å; L723-Y727 VanDerWaalsContact O-CG 3.25Å; L723-Y727 PolarHBondContact O-N 2.93Å; V724-Y727 PolarHBondContact O-N 3.03Å; K725-Y727 PolarHBondContact O-N 2.89Å; Y727-T729 VanDerWaalsContact C-N 3.31Å; Y727-T729 PolarHBondContact O-N 3.21Å; Y727-E730 PolarHBondContact O-N 2.86Å; Y727-R731 VanDerWaalsContact O-CB 3.27Å; Y727-R731 WeakPolarHBondContact O-CB 3.24Å; Y727-R731 WeakPolarHBondContact O-CG 3.14Å; Y727-R731 PolarHBondContact O-N 3.23Å; Y727-L774 HydrophobicContact CD2-CD1 3.44Å; Y727-L774 VanDerWaalsContact CD2-CD1 3.44Å; Y727-L774 HydrophobicContact CD2-CD2 4.45Å; Y727-L774 HydrophobicContact CE2-CD1 3.57Å; Y727-L774 HydrophobicContact CG-CD1 4.05Å
728	A	96.1	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.5	-39.9	174.9	0	0	0	0	0	111.9	V639 V724 K725 K726 N732 G733 V734	V639-A728 HydrophobicContact CB-CB 4.22Å; V639-A728 HydrophobicContact CG1-CB 3.68Å; V724-A728 WeakPolarHBondContact O-CB 3.49Å; V724-A728 PolarHBondContact O-N 3.13Å; K725-A728 PolarHBondContact O-N 2.87Å; K726-A728 PolarHBondContact O-N 3.43Å; A728-N732 PolarHBondContact O-N 2.84Å; A728-G733 PolarHBondContact O-N 3.01Å; A728-V734 HydrophobicContact CB-CG2 3.97Å
729	T	95.3	Very high	96.4	Very high	67 Å²	67	31.4 Å²	31.4	41%	0.411	15%	0.147	S	C	.	.	H	α-helix	trans	-67.8	-46.9	176.7	-61.1	0	0	0	0	111.9	K725 K726 Y727	K725-T729 PolarHBondContact O-N 3.46Å; K725-T729 PolarHBondContact O-OG1 2.66Å; K725-T729 VanDerWaalsContact O-OG1 3.1Å; K726-T729 PolarHBondContact O-N 3.35Å; Y727-T729 VanDerWaalsContact C-N 3.31Å; Y727-T729 PolarHBondContact O-N 3.21Å
730	E	94.4	Very high	96.4	Very high	120 Å²	120	31.8 Å²	31.8	56%	0.561	15%	0.149	S	C	*	.	H	α-helix	trans	-69.9	-31.4	-176.5	-71.8	172.1	178.1	0	0	113.2	K726 Y727	K726-E730 WeakPolarHBondContact CE-OE1 3.12Å; K726-E730 HydrophobicContact CG-CG 4.44Å; K726-E730 VanDerWaalsContact CG-OE1 3.26Å; K726-E730 WeakPolarHBondContact CG-OE1 3.36Å; K726-E730 WeakPolarHBondContact O-CB 3.34Å; K726-E730 WeakPolarHBondContact O-CG 3.45Å; K726-E730 PolarHBondContact O-N 3.22Å; Y727-E730 PolarHBondContact O-N 2.86Å
731	R	95.1	Very high	96.6	Very high	40 Å²	40	31.1 Å²	31.1	15%	0.151	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	12.4	-170.9	-55.7	178.2	67.1	-179.9	-1	114.2	Y727 V734 S776 S792	Y727-R731 VanDerWaalsContact O-CB 3.27Å; Y727-R731 WeakPolarHBondContact O-CB 3.24Å; Y727-R731 WeakPolarHBondContact O-CG 3.14Å; Y727-R731 PolarHBondContact O-N 3.23Å; R731-V734 HydrophobicContact CB-CG1 3.91Å; R731-V734 HydrophobicContact CG-CG1 4.45Å; R731-S776 VanDerWaalsContact CZ-OG 3.3Å; R731-S776 PolarHBondContact NE-OG 3.42Å; R731-S776 PolarHBondContact NH2-OG 3.04Å; R731-S792 VanDerWaalsContact NH2-C 3.29Å; R731-S792 PolarHBondContact NH2-O 2.77Å; R731-S792 PolarHBondContact NH2-OG 2.9Å; R731-S792 VanDerWaalsContact NH2-OG 3.11Å
732	N	95.9	Very high	96.9	Very high	25 Å²	25	23.8 Å²	23.8	13%	0.134	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	51	-176.7	-164.6	23.3	0	0	0	112.8	R641 A728 F780 T781 Q782 P783 A784	R641-N732 WeakPolarHBondContact CD-OD1 3.29Å; A728-N732 PolarHBondContact O-N 2.84Å; N732-F780 WeakPolarHBondContact CB-O 3.07Å; N732-F780 PolarHBondContact ND2-O 3.32Å; N732-T781 PolarHBondContact ND2-O 3.03Å; N732-Q782 PolarHBondContact ND2-O 3.42Å; N732-P783 VanDerWaalsContact O-CA 3.26Å; N732-P783 WeakPolarHBondContact O-CA 3.43Å; N732-A784 PolarHBondContact O-N 3.02Å
733	G	96.6	Very high	97	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.031	11%	0.108	C	C	.	.	S	Bend	trans	89.5	152.5	-173.2	0	0	0	0	0	112.8	V639 A728 A784	V639-G733 CarbonylContact O-C 3.56Å; V639-G733 WeakPolarHBondContact O-CA 3.5Å; A728-G733 PolarHBondContact O-N 3.01Å; G733-A784 WeakPolarHBondContact O-CB 3.32Å
734	V	97.4	Very high	97.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.5	179.9	-68.7	0	0	0	0	110.4	V639 A728 R731 L736 T775	V639-V734 HydrophobicContact CB-CG2 4.27Å; V639-V734 PolarHBondContact N-O 2.04Å; V639-V734 PolarHBondContact O-N 3.24Å; A728-V734 HydrophobicContact CB-CG2 3.97Å; R731-V734 HydrophobicContact CB-CG1 3.91Å; R731-V734 HydrophobicContact CG-CG1 4.45Å; V734-L736 HydrophobicContact CG2-CD1 3.77Å; V734-T775 WeakPolarHBondContact CA-O 3.4Å
735	N	97.9	Very high	97.1	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.043	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135	162.4	176.1	-106	0	0	0	108.8	N599 P601 Y602 Y637 T638 T775	N599-N735 PolarHBondContact O-ND2 2.64Å; P601-N735 HydrophobicContact CG-CB 4.11Å; Y602-N735 HydrophobicContact CE2-CB 3.87Å; Y637-N735 PolarHBondContact O-ND2 3.05Å; T638-N735 PolarHBondContact OG1-ND2 3.24Å; N735-T775 PolarHBondContact N-O 3.21Å; N735-T775 PolarHBondContact O-N 3.18Å
736	L	98.3	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.4	177.6	-71.7	107.3	0	0	0	109.7	S636 Y637 V639 F719 V724 V734 V773 L774	S636-L736 CarbonylContact C-O 3.55Å; S636-L736 VanDerWaalsContact CA-O 3.25Å; S636-L736 WeakPolarHBondContact CA-O 3.49Å; Y637-L736 HydrophobicContact CD1-CB 4.28Å; Y637-L736 HydrophobicContact CD2-CB 4.32Å; Y637-L736 HydrophobicContact CD2-CD1 4.11Å; Y637-L736 HydrophobicContact CE1-CB 3.93Å; Y637-L736 HydrophobicContact CE2-CB 3.98Å; Y637-L736 HydrophobicContact CE2-CD1 3.64Å; Y637-L736 HydrophobicContact CE2-CD2 4.38Å; Y637-L736 HydrophobicContact CE2-CG 4.2Å; Y637-L736 HydrophobicContact CG-CB 4.47Å; Y637-L736 PolarHBondContact N-O 2.99Å; Y637-L736 PolarHBondContact O-N 2.81Å; V639-L736 HydrophobicContact CB-CD1 4.33Å; V639-L736 HydrophobicContact CG2-CD1 3.68Å; F719-L736 HydrophobicContact CE1-CD2 4.31Å; F719-L736 HydrophobicContact CZ-CD2 3.6Å; V724-L736 HydrophobicContact CG1-CD1 3.93Å; V724-L736 HydrophobicContact CG1-CD2 4.49Å; V724-L736 HydrophobicContact CG2-CD2 3.79Å; V734-L736 HydrophobicContact CG2-CD1 3.77Å; L736-V773 WeakPolarHBondContact CA-O 3.01Å; L736-L774 HydrophobicContact CD2-CD2 3.31Å; L736-L774 HydrophobicContact CG-CD2 3.61Å
737	L	98.7	Very high	97.3	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.047	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	163.4	-171.2	78.9	0	0	0	108.4	P605 W634 T635 F771 V772 V773 L840	P605-L737 HydrophobicContact CG-CD1 3.99Å; P605-L737 HydrophobicContact CG-CD2 3.83Å; W634-L737 HydrophobicContact CB-CD1 3.91Å; W634-L737 HydrophobicContact CB-CG 4.25Å; W634-L737 HydrophobicContact CD2-CD1 4.01Å; W634-L737 HydrophobicContact CE3-CD1 3.64Å; W634-L737 HydrophobicContact CG-CD1 4.15Å; T635-L737 WeakPolarHBondContact O-CA 3.27Å; L737-F771 HydrophobicContact CD2-CE2 4.13Å; L737-F771 HydrophobicContact CG-CE2 4.04Å; L737-F771 HydrophobicContact CG-CZ 4.44Å; L737-F771 WeakPolarHBondContact O-CE2 3.48Å; L737-V772 CarbonylContact O-C 3.58Å; L737-V773 HydrophobicContact CB-CB 4.26Å; L737-V773 PolarHBondContact N-O 3.48Å; L737-V773 PolarHBondContact O-N 2.84Å; L737-L840 HydrophobicContact CD2-CD1 4.32Å; L737-L840 HydrophobicContact CD2-CD2 3.45Å; L737-L840 VanDerWaalsContact CD2-CD2 3.45Å; L737-L840 HydrophobicContact CD2-CG 3.82Å
738	V	98.8	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.2	-176.3	-60.2	0	0	0	0	111.2	W634 T635 Y637 L684 W716 F771 V772	W634-V738 CarbonylContact C-O 3.35Å; W634-V738 VanDerWaalsContact CA-O 3.29Å; W634-V738 WeakPolarHBondContact CA-O 3.41Å; T635-V738 PolarHBondContact N-O 2.92Å; T635-V738 PolarHBondContact O-N 3.07Å; Y637-V738 HydrophobicContact CE1-CG2 4.08Å; L684-V738 HydrophobicContact CB-CG2 4.04Å; L684-V738 HydrophobicContact CD2-CG2 4.23Å; W716-V738 HydrophobicContact CH2-CB 3.96Å; W716-V738 HydrophobicContact CH2-CG1 4.05Å; W716-V738 HydrophobicContact CH2-CG2 4.46Å; W716-V738 HydrophobicContact CZ2-CB 4.45Å; W716-V738 HydrophobicContact CZ2-CG2 4.47Å; V738-F771 WeakPolarHBondContact CA-O 3.44Å; V738-V772 HydrophobicContact CG1-CB 4.37Å; V738-V772 HydrophobicContact CG1-CG1 4.22Å; V738-V772 HydrophobicContact CG1-CG2 4.05Å
739	G	98.6	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.4	174.6	177.1	0	0	0	0	0	114.2	Y770 F771	G739-Y770 WeakPolarHBondContact O-CA 3.06Å; G739-F771 PolarHBondContact N-O 3.08Å; G739-F771 WeakPolarHBondContact O-CD1 3.42Å; G739-F771 PolarHBondContact O-N 3.31Å
740	P	98.5	Very high	97.6	Very high	7 Å²	7	28.4 Å²	28.4	5%	0.045	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	157.1	178.2	33.5	-36.1	0	0	0	112.4	M631 P632 F742 P767 Y770	M631-P740 HydrophobicContact CG-CG 4.28Å; M631-P740 HydrophobicContact SD-CB 4.03Å; M631-P740 HydrophobicContact SD-CG 3.84Å; P632-P740 WeakPolarHBondContact O-CD 3.41Å; P632-P740 VanDerWaalsContact O-CG 3.29Å; P632-P740 WeakPolarHBondContact O-CG 3.48Å; P740-F742 HydrophobicContact CB-CE2 3.91Å; P740-F742 HydrophobicContact CB-CZ 4.19Å; P740-F742 HydrophobicContact CG-CE2 4.07Å; P740-P767 HydrophobicContact CB-CB 3.79Å; P740-P767 HydrophobicContact CB-CG 3.43Å; P740-P767 VanDerWaalsContact CB-CG 3.43Å; P740-Y770 HydrophobicContact CB-CE1 4.19Å
741	V	98.8	Very high	97.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.6	172.4	170.4	0	0	0	0	109.8	D743 P767 S768 H769 F771 L835 T836	V741-D743 HydrophobicContact CG1-CB 4.36Å; V741-P767 CarbonylContact O-C 3.6Å; V741-S768 PolarHBondContact O-N 3.43Å; V741-S768 PolarHBondContact O-OG 3.04Å; V741-H769 HydrophobicContact CB-CB 3.93Å; V741-H769 HydrophobicContact CG1-CB 4.22Å; V741-H769 PolarHBondContact N-O 2.98Å; V741-H769 PolarHBondContact O-N 3.45Å; V741-F771 HydrophobicContact CG2-CB 4.04Å; V741-F771 HydrophobicContact CG2-CD1 3.89Å; V741-F771 HydrophobicContact CG2-CG 4.46Å; V741-L835 HydrophobicContact CG1-CB 3.81Å; V741-L835 HydrophobicContact CG1-CD1 4.37Å; V741-L835 HydrophobicContact CG1-CD2 3.89Å; V741-L835 HydrophobicContact CG1-CG 4.26Å; V741-L835 HydrophobicContact CG2-CB 4.48Å; V741-T836 HydrophobicContact CG2-CG2 3.99Å
742	F	98.4	Very high	97.7	Very high	15 Å²	15	23 Å²	23	7%	0.066	12%	0.117	C	C	.	.			trans	-118.6	110	176.7	-56.9	-89	0	0	0	108.7	L629 M631 P740 Y744 D751 I756 P765 V766 P767	L629-F742 HydrophobicContact CD1-CD2 4.48Å; L629-F742 HydrophobicContact CD1-CE2 3.91Å; M631-F742 HydrophobicContact CE-CZ 4.33Å; M631-F742 HydrophobicContact SD-CZ 4.02Å; P740-F742 HydrophobicContact CB-CE2 3.91Å; P740-F742 HydrophobicContact CB-CZ 4.19Å; P740-F742 HydrophobicContact CG-CE2 4.07Å; F742-Y744 HydrophobicContact CD1-CE2 4.3Å; F742-D751 VanDerWaalsContact C-OD2 3.23Å; F742-D751 HydrophobicContact CB-CB 4.02Å; F742-D751 WeakPolarHBondContact O-CB 3.46Å; F742-D751 PolarHBondContact O-N 3.17Å; F742-I756 HydrophobicContact CB-CD1 4.14Å; F742-I756 HydrophobicContact CB-CG1 4.12Å; F742-I756 HydrophobicContact CD1-CD1 3.91Å; F742-I756 HydrophobicContact CD1-CG1 4.19Å; F742-I756 HydrophobicContact CD1-CG2 4.38Å; F742-I756 HydrophobicContact CG-CD1 3.98Å; F742-I756 HydrophobicContact CG-CG1 4.37Å; F742-P765 HydrophobicContact CD1-CB 4.49Å; F742-P765 HydrophobicContact CE1-CB 3.74Å; F742-P765 HydrophobicContact CE1-CG 4.11Å; F742-P765 HydrophobicContact CZ-CB 4.31Å; F742-P765 HydrophobicContact CZ-CG 4.16Å; F742-V766 WeakPolarHBondContact CE1-O 3.39Å; F742-P767 HydrophobicContact CE1-CB 4.28Å; F742-P767 HydrophobicContact CE1-CG 4.03Å; F742-P767 HydrophobicContact CZ-CB 4.39Å; F742-P767 HydrophobicContact CZ-CG 3.88Å
743	D	98.3	Very high	97.3	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	14%	0.14	C	C	.	.			trans	-148.6	64.5	-177.8	177.6	20.9	0	0	0	109.5	K427 V741 N745 Y746 D747 G748 D751 S768 L835	K427-D743 VanDerWaalsContact CE-OD2 3.3Å; K427-D743 WeakPolarHBondContact CE-OD2 3.31Å; K427-D743 IonicContact NZ-OD2 3.65Å; K427-D743 PolarHBondContact NZ-OD2 2.99Å; V741-D743 HydrophobicContact CG1-CB 4.36Å; D743-N745 PolarHBondContact OD1-OD1 2.95Å; D743-Y746 PolarHBondContact O-N 2.57Å; D743-Y746 WeakPolarHBondContact OD1-CA 3.48Å; D743-Y746 PolarHBondContact OD1-N 3.41Å; D743-D747 PolarHBondContact OD1-N 2.88Å; D743-G748 PolarHBondContact OD1-N 3.35Å; D743-G748 PolarHBondContact OD2-N 2.86Å; D743-D751 WeakPolarHBondContact CA-OD2 3.5Å; D743-D751 PolarHBondContact N-OD2 2.89Å; D743-D751 VanDerWaalsContact N-OD2 3.17Å; D743-S768 PolarHBondContact N-OG 2.96Å; D743-L835 HydrophobicContact CB-CD2 3.59Å; D743-L835 WeakPolarHBondContact OD2-CD2 3.08Å
744	Y	97.4	Very high	97	Very high	38 Å²	38	32.8 Å²	32.8	15%	0.149	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-28.4	-178.2	-83.7	-87.9	0	0	0	112.8	F742 Y746 D751 I756 R757 D758 V766	F742-Y744 HydrophobicContact CD1-CE2 4.3Å; Y744-Y746 VanDerWaalsContact C-N 3.31Å; Y744-D751 WeakPolarHBondContact CB-OD2 2.97Å; Y744-D751 WeakPolarHBondContact CD2-OD2 3.4Å; Y744-D751 PolarHBondContact N-OD2 2.65Å; Y744-I756 HydrophobicContact CD2-CB 4.42Å; Y744-I756 HydrophobicContact CD2-CG1 4.45Å; Y744-I756 HydrophobicContact CD2-CG2 4.34Å; Y744-I756 HydrophobicContact CE2-CB 4.44Å; Y744-I756 HydrophobicContact CE2-CG2 3.87Å; Y744-R757 HydrophobicContact CD1-CB 3.87Å; Y744-R757 HydrophobicContact CD1-CG 4.06Å; Y744-R757 HydrophobicContact CE1-CB 4.05Å; Y744-R757 HydrophobicContact CG-CB 4.48Å; Y744-R757 HydrophobicContact CG-CG 4.34Å; Y744-D758 HydrophobicContact CE1-CB 4.21Å; Y744-D758 WeakPolarHBondContact CE1-OD2 3.33Å; Y744-D758 VanDerWaalsContact OH-CB 3.3Å; Y744-D758 WeakPolarHBondContact OH-CB 3.34Å; Y744-V766 PolarHBondContact OH-O 3.09Å
745	N	97.4	Very high	96.8	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.23	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.3	175.7	71.6	-6.1	0	0	0	112.9	D743 D747 D751 T755	D743-N745 PolarHBondContact OD1-OD1 2.95Å; N745-D747 VanDerWaalsContact ND2-CG 3.29Å; N745-D747 PolarHBondContact ND2-OD2 2.83Å; N745-D747 PolarHBondContact O-N 3.41Å; N745-D747 PolarHBondContact OD1-N 3.41Å; N745-D747 PolarHBondContact OD1-OD1 3.07Å; N745-D751 PolarHBondContact OD1-OD1 2.88Å; N745-T755 HydrophobicContact CB-CG2 3.86Å
746	Y	97.9	Very high	96.6	Very high	76 Å²	76	35 Å²	35	30%	0.298	19%	0.187	S	C	.	.			trans	54.6	32.4	174.1	52.1	-93.9	0	0	0	113.9	Q423 A432 D743 Y744	Q423-Y746 HydrophobicContact CB-CD1 3.92Å; Q423-Y746 HydrophobicContact CB-CG 4Å; A432-Y746 HydrophobicContact CB-CD2 3.81Å; A432-Y746 HydrophobicContact CB-CG 4.28Å; D743-Y746 PolarHBondContact O-N 2.57Å; D743-Y746 WeakPolarHBondContact OD1-CA 3.48Å; D743-Y746 PolarHBondContact OD1-N 3.41Å; Y744-Y746 VanDerWaalsContact C-N 3.31Å
747	D	98	Very high	96.1	Very high	47 Å²	47	43.4 Å²	43.4	25%	0.251	22%	0.219	S	C	.	.	S	Bend	trans	-90.4	-3.1	179.7	74.4	8.1	0	0	0	114.5	N433 D743 N745 V749	N433-D747 HydrophobicContact CB-CB 4.24Å; N433-D747 WeakPolarHBondContact ND2-CB 3.41Å; D743-D747 PolarHBondContact OD1-N 2.88Å; N745-D747 VanDerWaalsContact ND2-CG 3.29Å; N745-D747 PolarHBondContact ND2-OD2 2.83Å; N745-D747 PolarHBondContact O-N 3.41Å; N745-D747 PolarHBondContact OD1-N 3.41Å; N745-D747 PolarHBondContact OD1-OD1 3.07Å; D747-V749 VanDerWaalsContact C-N 3.26Å; D747-V749 PolarHBondContact O-N 2.85Å; D747-V749 WeakPolarHBondContact OD1-CA 3.2Å; D747-V749 WeakPolarHBondContact OD1-CB 3.48Å; D747-V749 PolarHBondContact OD1-N 3.01Å
748	G	98.1	Very high	95.4	Very high	8 Å²	8	46.7 Å²	46.7	8%	0.082	24%	0.236	C	C	.	.	S	Bend	trans	76.6	13.6	178.9	0	0	0	0	0	113.6	D743 L834	D743-G748 PolarHBondContact OD1-N 3.35Å; D743-G748 PolarHBondContact OD2-N 2.86Å; G748-L834 WeakPolarHBondContact O-CB 3.35Å
749	V	98.1	Very high	94.9	Very high	72 Å²	72	50.3 Å²	50.3	44%	0.436	25%	0.253	S	S	.	.	S	Bend	trans	-125.5	155.1	-179.8	-175.5	0	0	0	0	109.8	D747 D751 L834	D747-V749 VanDerWaalsContact C-N 3.26Å; D747-V749 PolarHBondContact O-N 2.85Å; D747-V749 WeakPolarHBondContact OD1-CA 3.2Å; D747-V749 WeakPolarHBondContact OD1-CB 3.48Å; D747-V749 PolarHBondContact OD1-N 3.01Å; V749-D751 PolarHBondContact O-N 2.05Å; V749-L834 WeakPolarHBondContact CA-O 3.02Å
750	R	97.8	Very high	94	Very high	79 Å²	79	50.5 Å²	50.5	30%	0.298	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-57.6	122.2	176.8	-171.8	-158.5	72.7	75.1	12.3	112.3	F609 L834 L835 T836	F609-R750 VanDerWaalsContact CE1-CD 3.41Å; R750-L834 PolarHBondContact N-O 3.12Å; R750-L835 WeakPolarHBondContact CA-O 3.19Å; R750-L835 WeakPolarHBondContact CB-O 3.26Å; R750-T836 VanDerWaalsContact CD-O 3.23Å; R750-T836 WeakPolarHBondContact CD-O 3.49Å
751	D	97.8	Very high	92.7	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-61.5	146.6	172.9	-79.1	-22.3	0	0	0	114	F742 D743 Y744 N745 V749 T755 I756	F742-D751 VanDerWaalsContact C-OD2 3.23Å; F742-D751 HydrophobicContact CB-CB 4.02Å; F742-D751 WeakPolarHBondContact O-CB 3.46Å; F742-D751 PolarHBondContact O-N 3.17Å; D743-D751 WeakPolarHBondContact CA-OD2 3.5Å; D743-D751 PolarHBondContact N-OD2 2.89Å; D743-D751 VanDerWaalsContact N-OD2 3.17Å; Y744-D751 WeakPolarHBondContact CB-OD2 2.97Å; Y744-D751 WeakPolarHBondContact CD2-OD2 3.4Å; Y744-D751 PolarHBondContact N-OD2 2.65Å; N745-D751 PolarHBondContact OD1-OD1 2.88Å; V749-D751 PolarHBondContact O-N 2.05Å; D751-T755 HydrophobicContact CB-CG2 4.3Å; D751-T755 WeakPolarHBondContact OD1-CG2 3.29Å; D751-I756 HydrophobicContact CB-CG1 4.03Å
752	S	93.4	Very high	91.4	Very high	41 Å²	41	55.8 Å²	55.8	29%	0.287	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-80.2	168.3	161.9	75.1	0	0	0	0	111	E754 T755 I756	S752-E754 WeakPolarHBondContact CB-OE2 3.42Å; S752-E754 PolarHBondContact O-N 3.09Å; S752-E754 PolarHBondContact OG-OE2 3.09Å; S752-T755 PolarHBondContact O-N 3.07Å; S752-T755 VanDerWaalsContact O-N 3.09Å; S752-T755 PolarHBondContact OG-OG1 2.84Å; S752-I756 PolarHBondContact O-N 3.47Å
753	A	88.3	Confident	90.5	Very high	74 Å²	74	57.5 Å²	57.5	61%	0.612	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.9	-179.6	0	0	0	0	0	112.3	T755	A753-T755 VanDerWaalsContact C-N 3.34Å
754	E	89.7	Confident	90.1	Very high	161 Å²	161	57.5 Å²	57.5	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.6	178.9	-53.7	79.2	-169.4	0	0	113.4	S752	S752-E754 WeakPolarHBondContact CB-OE2 3.42Å; S752-E754 PolarHBondContact O-N 3.09Å; S752-E754 PolarHBondContact OG-OE2 3.09Å
755	T	93.9	Very high	89.9	Confident	36 Å²	36	55.9 Å²	55.9	22%	0.221	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-26.1	-179.3	-53.7	0	0	0	0	112.2	N745 D751 S752 A753 R757	N745-T755 HydrophobicContact CB-CG2 3.86Å; D751-T755 HydrophobicContact CB-CG2 4.3Å; D751-T755 WeakPolarHBondContact OD1-CG2 3.29Å; S752-T755 PolarHBondContact O-N 3.07Å; S752-T755 VanDerWaalsContact O-N 3.09Å; S752-T755 PolarHBondContact OG-OG1 2.84Å; A753-T755 VanDerWaalsContact C-N 3.34Å; T755-R757 VanDerWaalsContact O-CG 3.28Å; T755-R757 WeakPolarHBondContact O-CG 3.45Å; T755-R757 PolarHBondContact O-N 3.14Å
756	I	93	Very high	89.9	Confident	17 Å²	17	54 Å²	54	9%	0.087	30%	0.304	C	S	.	.			trans	-67.7	125.1	-179.2	-63	172	0	0	0	110	L629 F742 Y744 D751 S752 P765	L629-I756 HydrophobicContact CD2-CD1 4.23Å; F742-I756 HydrophobicContact CB-CD1 4.14Å; F742-I756 HydrophobicContact CB-CG1 4.12Å; F742-I756 HydrophobicContact CD1-CD1 3.91Å; F742-I756 HydrophobicContact CD1-CG1 4.19Å; F742-I756 HydrophobicContact CD1-CG2 4.38Å; F742-I756 HydrophobicContact CG-CD1 3.98Å; F742-I756 HydrophobicContact CG-CG1 4.37Å; Y744-I756 HydrophobicContact CD2-CB 4.42Å; Y744-I756 HydrophobicContact CD2-CG1 4.45Å; Y744-I756 HydrophobicContact CD2-CG2 4.34Å; Y744-I756 HydrophobicContact CE2-CB 4.44Å; Y744-I756 HydrophobicContact CE2-CG2 3.87Å; D751-I756 HydrophobicContact CB-CG1 4.03Å; S752-I756 PolarHBondContact O-N 3.47Å; I756-P765 HydrophobicContact CD1-CB 4.49Å; I756-P765 HydrophobicContact CG2-CB 3.75Å
757	R	87.6	Confident	89.9	Confident	177 Å²	177	50.5 Å²	50.5	67%	0.668	29%	0.29	S	S	*	.			trans	-104.3	-37.3	-170.9	-55.5	-170.9	-178.4	178.5	-0.3	114.6	Y744 T755	Y744-R757 HydrophobicContact CD1-CB 3.87Å; Y744-R757 HydrophobicContact CD1-CG 4.06Å; Y744-R757 HydrophobicContact CE1-CB 4.05Å; Y744-R757 HydrophobicContact CG-CB 4.48Å; Y744-R757 HydrophobicContact CG-CG 4.34Å; T755-R757 VanDerWaalsContact O-CG 3.28Å; T755-R757 WeakPolarHBondContact O-CG 3.45Å; T755-R757 PolarHBondContact O-N 3.14Å
758	D	84.8	Confident	89.9	Confident	79 Å²	79	49.2 Å²	49.2	42%	0.422	28%	0.284	S	S	.	.			trans	-105.7	136.8	-173	-50.5	-33.3	0	0	0	112.2	Y744 V766	Y744-D758 HydrophobicContact CE1-CB 4.21Å; Y744-D758 WeakPolarHBondContact CE1-OD2 3.33Å; Y744-D758 VanDerWaalsContact OH-CB 3.3Å; Y744-D758 WeakPolarHBondContact OH-CB 3.34Å; D758-V766 HydrophobicContact CB-CB 4.26Å; D758-V766 HydrophobicContact CB-CG2 4.41Å; D758-V766 PolarHBondContact O-N 2.91Å
759	H	86.8	Confident	89.9	Confident	76 Å²	76	49.2 Å²	49.2	35%	0.352	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139	-177.6	-62.1	77.2	0	0	0	110.9	V764	H759-V764 CarbonylContact C-O 3.54Å; H759-V764 WeakPolarHBondContact CA-O 3.42Å
760	V	79.3	Confident	90	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.2	169.1	-175.1	0	0	0	0	108.7	N672 Y673 E676 V679 P707 G762 A763 V764 V766	N672-V760 HydrophobicContact CB-CG1 4.37Å; Y673-V760 HydrophobicContact CD1-CG1 4.47Å; Y673-V760 HydrophobicContact CE1-CG1 4.46Å; E676-V760 HydrophobicContact CB-CG1 4.18Å; E676-V760 HydrophobicContact CG-CG1 4.37Å; V679-V760 HydrophobicContact CB-CG2 4.19Å; V679-V760 HydrophobicContact CG1-CG2 3.75Å; P707-V760 HydrophobicContact CB-CG2 3.9Å; V760-G762 PolarHBondContact O-N 3.5Å; V760-A763 PolarHBondContact O-N 3.5Å; V760-A763 VanDerWaalsContact O-N 3.12Å; V760-V764 HydrophobicContact CB-CB 4.25Å; V760-V764 PolarHBondContact N-O 2.88Å; V760-V764 PolarHBondContact O-N 3.39Å; V760-V766 HydrophobicContact CG2-CG2 3.78Å
761	S	71.9	Confident	90	Very high	53 Å²	53	42 Å²	42	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	29.1	-177.8	-49	0	0	0	0	113.6	N672 A763	N672-S761 WeakPolarHBondContact CB-OG 3.41Å; S761-A763 VanDerWaalsContact C-N 3.31Å; S761-A763 PolarHBondContact O-N 3.44Å
762	G	71.9	Confident	90.1	Very high	67 Å²	67	41.8 Å²	41.8	69%	0.691	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	0.3	178.3	0	0	0	0	0	116.6	V760	V760-G762 PolarHBondContact O-N 3.5Å
763	A	79.5	Confident	90.3	Very high	51 Å²	51	39.9 Å²	39.9	42%	0.421	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-40.4	-173.9	0	0	0	0	0	115	V760 S761	V760-A763 PolarHBondContact O-N 3.5Å; V760-A763 VanDerWaalsContact O-N 3.12Å; S761-A763 VanDerWaalsContact C-N 3.31Å; S761-A763 PolarHBondContact O-N 3.44Å
764	V	89.3	Confident	90.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	115.9	-174.6	-177.7	0	0	0	0	109.8	M631 Q668 P707 H759 V760	M631-V764 HydrophobicContact CE-CG1 3.9Å; Q668-V764 HydrophobicContact CG-CG1 4.27Å; Q668-V764 HydrophobicContact CG-CG2 4.14Å; P707-V764 HydrophobicContact CG-CG1 4.26Å; H759-V764 CarbonylContact C-O 3.54Å; H759-V764 WeakPolarHBondContact CA-O 3.42Å; V760-V764 HydrophobicContact CB-CB 4.25Å; V760-V764 PolarHBondContact N-O 2.88Å; V760-V764 PolarHBondContact O-N 3.39Å
765	P	94.2	Very high	91.2	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.4	-174.9	29.4	-35.7	0	0	0	111.4	L629 M631 F742 I756	L629-P765 HydrophobicContact CB-CG 4.31Å; L629-P765 HydrophobicContact CD2-CG 3.94Å; M631-P765 HydrophobicContact CE-CG 4.2Å; M631-P765 VanDerWaalsContact CE-O 3.23Å; M631-P765 WeakPolarHBondContact CE-O 3.16Å; F742-P765 HydrophobicContact CD1-CB 4.49Å; F742-P765 HydrophobicContact CE1-CB 3.74Å; F742-P765 HydrophobicContact CE1-CG 4.11Å; F742-P765 HydrophobicContact CZ-CB 4.31Å; F742-P765 HydrophobicContact CZ-CG 4.16Å; I756-P765 HydrophobicContact CD1-CB 4.49Å; I756-P765 HydrophobicContact CG2-CB 3.75Å
766	V	95.8	Very high	91.3	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.03	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-89.5	125.8	178	-178.3	0	0	0	0	109.3	Y709 F742 Y744 D758 V760	Y709-V766 HydrophobicContact CE2-CG1 4.46Å; F742-V766 WeakPolarHBondContact CE1-O 3.39Å; Y744-V766 PolarHBondContact OH-O 3.09Å; D758-V766 HydrophobicContact CB-CB 4.26Å; D758-V766 HydrophobicContact CB-CG2 4.41Å; D758-V766 PolarHBondContact O-N 2.91Å; V760-V766 HydrophobicContact CG2-CG2 3.78Å
767	P	98.1	Very high	91.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-64.2	142.8	175.7	-26.6	36.9	0	0	0	111.5	M631 P740 V741 F742 H769 Y770 H800	M631-P767 HydrophobicContact SD-CG 4.2Å; P740-P767 HydrophobicContact CB-CB 3.79Å; P740-P767 HydrophobicContact CB-CG 3.43Å; P740-P767 VanDerWaalsContact CB-CG 3.43Å; V741-P767 CarbonylContact O-C 3.6Å; F742-P767 HydrophobicContact CE1-CB 4.28Å; F742-P767 HydrophobicContact CE1-CG 4.03Å; F742-P767 HydrophobicContact CZ-CB 4.39Å; F742-P767 HydrophobicContact CZ-CG 3.88Å; P767-H769 WeakPolarHBondContact CB-O 3.48Å; P767-Y770 HydrophobicContact CB-CE2 4.14Å; P767-Y770 HydrophobicContact CG-CE1 4.22Å; P767-Y770 HydrophobicContact CG-CE2 4.29Å; P767-H800 WeakPolarHBondContact O-CB 3.42Å; P767-H800 PolarHBondContact O-ND1 3.43Å
768	S	98.3	Very high	91.8	Very high	20 Å²	20	23 Å²	23	14%	0.14	15%	0.15	C	C	.	.	S	Bend	trans	-75.3	-31.6	170.4	66.9	0	0	0	0	112.1	V741 D743 H800	V741-S768 PolarHBondContact O-N 3.43Å; V741-S768 PolarHBondContact O-OG 3.04Å; D743-S768 PolarHBondContact N-OG 2.96Å; S768-H800 VanDerWaalsContact O-CB 3.32Å; S768-H800 WeakPolarHBondContact O-CB 3.43Å; S768-H800 PolarHBondContact O-N 3.35Å
769	H	98.8	Very high	92.2	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.2	180	-55.8	69.1	0	0	0	109.8	K427 V741 P767 I797 L798 P799	K427-H769 WeakPolarHBondContact CE-CE1 3.42Å; K427-H769 WeakPolarHBondContact CE-NE2 3.44Å; V741-H769 HydrophobicContact CB-CB 3.93Å; V741-H769 HydrophobicContact CG1-CB 4.22Å; V741-H769 PolarHBondContact N-O 2.98Å; V741-H769 PolarHBondContact O-N 3.45Å; P767-H769 WeakPolarHBondContact CB-O 3.48Å; H769-I797 HydrophobicContact CB-CG2 3.68Å; H769-L798 CarbonylContact C-O 3.58Å; H769-L798 WeakPolarHBondContact CA-O 3.19Å; H769-L798 VanDerWaalsContact CB-O 3.26Å; H769-L798 WeakPolarHBondContact CB-O 3.49Å; H769-P799 WeakPolarHBondContact CD2-CA 3.01Å
770	Y	98.9	Very high	92.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.8	165	-76.3	-86.7	0	0	0	109.9	L684 V706 P707 M708 F712 G739 P740 P767 L798 H800	L684-Y770 HydrophobicContact CD2-CD1 4.42Å; L684-Y770 HydrophobicContact CD2-CE1 4.36Å; V706-Y770 HydrophobicContact CB-CE1 4.03Å; V706-Y770 WeakPolarHBondContact CB-OH 3.42Å; V706-Y770 HydrophobicContact CG1-CE1 4.41Å; V706-Y770 HydrophobicContact CG2-CE1 3.75Å; P707-Y770 PolarHBondContact O-OH 3.42Å; M708-Y770 HydrophobicContact CE-CD1 3.86Å; M708-Y770 HydrophobicContact CE-CD2 3.96Å; M708-Y770 HydrophobicContact CE-CE1 3.59Å; M708-Y770 HydrophobicContact CE-CE2 3.67Å; M708-Y770 HydrophobicContact CE-CG 4.03Å; M708-Y770 VanDerWaalsContact CE-CZ 3.46Å; M708-Y770 HydrophobicContact CG-CE2 3.78Å; M708-Y770 WeakPolarHBondContact CG-OH 3.37Å; M708-Y770 HydrophobicContact SD-CE2 4.43Å; F712-Y770 HydrophobicContact CD1-CD2 4.14Å; F712-Y770 HydrophobicContact CD1-CE2 4.37Å; F712-Y770 AromaticContact CE1-CD2 3.4Å; F712-Y770 HydrophobicContact CE1-CD2 3.4Å; F712-Y770 VanDerWaalsContact CE1-CD2 3.4Å; F712-Y770 HydrophobicContact CE1-CE2 4.02Å; F712-Y770 HydrophobicContact CE1-CG 4.04Å; F712-Y770 AromaticContact CZ-CD2 3.7Å; F712-Y770 HydrophobicContact CZ-CD2 3.7Å; F712-Y770 HydrophobicContact CZ-CG 4.2Å; G739-Y770 WeakPolarHBondContact O-CA 3.06Å; P740-Y770 HydrophobicContact CB-CE1 4.19Å; P767-Y770 HydrophobicContact CB-CE2 4.14Å; P767-Y770 HydrophobicContact CG-CE1 4.22Å; P767-Y770 HydrophobicContact CG-CE2 4.29Å; Y770-L798 PolarHBondContact N-O 2.96Å; Y770-L798 PolarHBondContact O-N 3.48Å; Y770-H800 HydrophobicContact CD2-CB 4.17Å; Y770-H800 HydrophobicContact CE2-CB 4.28Å; Y770-H800 AromaticContact CE2-CD2 3.95Å; Y770-H800 AromaticContact CE2-CG 3.81Å
771	F	98.9	Very high	92.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.9	176.1	79.1	-98.7	0	0	0	111.6	W634 L737 V738 G739 V741 V773 F796 V832 T836 L838	W634-F771 HydrophobicContact CB-CZ 4.07Å; L737-F771 HydrophobicContact CD2-CE2 4.13Å; L737-F771 HydrophobicContact CG-CE2 4.04Å; L737-F771 HydrophobicContact CG-CZ 4.44Å; L737-F771 WeakPolarHBondContact O-CE2 3.48Å; V738-F771 WeakPolarHBondContact CA-O 3.44Å; G739-F771 PolarHBondContact N-O 3.08Å; G739-F771 WeakPolarHBondContact O-CD1 3.42Å; G739-F771 PolarHBondContact O-N 3.31Å; V741-F771 HydrophobicContact CG2-CB 4.04Å; V741-F771 HydrophobicContact CG2-CD1 3.89Å; V741-F771 HydrophobicContact CG2-CG 4.46Å; F771-V773 HydrophobicContact CD2-CG2 4.17Å; F771-V773 HydrophobicContact CE2-CG2 4.48Å; F771-F796 CarbonylContact C-O 3.45Å; F771-F796 VanDerWaalsContact CA-O 3.27Å; F771-F796 WeakPolarHBondContact CA-O 3.43Å; F771-V832 HydrophobicContact CB-CG1 3.93Å; F771-V832 HydrophobicContact CB-CG2 4.07Å; F771-V832 HydrophobicContact CD1-CG1 4.08Å; F771-V832 HydrophobicContact CD2-CG1 3.53Å; F771-V832 HydrophobicContact CE1-CG1 4.48Å; F771-V832 HydrophobicContact CE2-CG1 3.99Å; F771-V832 HydrophobicContact CG-CG1 3.58Å; F771-V832 HydrophobicContact CZ-CG1 4.45Å; F771-T836 HydrophobicContact CD1-CG2 3.6Å; F771-T836 HydrophobicContact CE1-CG2 3.66Å; F771-T836 HydrophobicContact CG-CG2 4.5Å; F771-L838 HydrophobicContact CZ-CD1 4.38Å
772	V	98.8	Very high	94	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.5	170.5	177	0	0	0	0	107.9	W716 F719 L737 V738 L774 A795 F796	W716-V772 HydrophobicContact CH2-CG2 4.11Å; W716-V772 HydrophobicContact CZ3-CG2 3.8Å; F719-V772 HydrophobicContact CE1-CG1 4.25Å; F719-V772 HydrophobicContact CE1-CG2 3.97Å; F719-V772 HydrophobicContact CE2-CG1 4Å; F719-V772 HydrophobicContact CZ-CB 4.37Å; F719-V772 HydrophobicContact CZ-CG1 3.47Å; F719-V772 VanDerWaalsContact CZ-CG1 3.47Å; F719-V772 HydrophobicContact CZ-CG2 3.96Å; L737-V772 CarbonylContact O-C 3.58Å; V738-V772 HydrophobicContact CG1-CB 4.37Å; V738-V772 HydrophobicContact CG1-CG1 4.22Å; V738-V772 HydrophobicContact CG1-CG2 4.05Å; V772-L774 HydrophobicContact CG1-CD2 3.88Å; V772-L774 HydrophobicContact CG1-CG 4Å; V772-A795 CarbonylContact O-C 3.17Å; V772-A795 WeakPolarHBondContact O-CA 3.08Å; V772-F796 HydrophobicContact CB-CB 4.37Å; V772-F796 HydrophobicContact CB-CD2 4.1Å; V772-F796 HydrophobicContact CG1-CD2 4.17Å; V772-F796 PolarHBondContact N-O 3.47Å; V772-F796 PolarHBondContact O-N 2.87Å
773	V	98.8	Very high	94.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.7	169.4	-179.1	0	0	0	0	108.4	L736 L737 F771 A795 V829 V832 L840 Y841	L736-V773 WeakPolarHBondContact CA-O 3.01Å; L737-V773 HydrophobicContact CB-CB 4.26Å; L737-V773 PolarHBondContact N-O 3.48Å; L737-V773 PolarHBondContact O-N 2.84Å; F771-V773 HydrophobicContact CD2-CG2 4.17Å; F771-V773 HydrophobicContact CE2-CG2 4.48Å; V773-A795 HydrophobicContact CG2-CB 4.12Å; V773-V829 HydrophobicContact CG1-CG2 3.88Å; V773-V832 HydrophobicContact CG2-CB 4.45Å; V773-V832 HydrophobicContact CG2-CG1 4.25Å; V773-V832 HydrophobicContact CG2-CG2 4.12Å; V773-L840 HydrophobicContact CG1-CD2 4.43Å; V773-L840 HydrophobicContact CG2-CD2 4.16Å; V773-Y841 VanDerWaalsContact CG1-OH 3.28Å; V773-Y841 WeakPolarHBondContact CG1-OH 3.43Å
774	L	97.9	Very high	95.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.4	178.6	-58.6	175.9	0	0	0	109.8	F719 Y727 L736 V772 S793 A794 F796	F719-L774 HydrophobicContact CZ-CD2 4.47Å; Y727-L774 HydrophobicContact CD2-CD1 3.44Å; Y727-L774 VanDerWaalsContact CD2-CD1 3.44Å; Y727-L774 HydrophobicContact CD2-CD2 4.45Å; Y727-L774 HydrophobicContact CE2-CD1 3.57Å; Y727-L774 HydrophobicContact CG-CD1 4.05Å; L736-L774 HydrophobicContact CD2-CD2 3.31Å; L736-L774 HydrophobicContact CG-CD2 3.61Å; V772-L774 HydrophobicContact CG1-CD2 3.88Å; V772-L774 HydrophobicContact CG1-CG 4Å; L774-S793 CarbonylContact O-C 3.59Å; L774-S793 VanDerWaalsContact O-CA 3.27Å; L774-S793 WeakPolarHBondContact O-CA 3.36Å; L774-A794 PolarHBondContact N-O 2.92Å; L774-A794 PolarHBondContact O-N 2.98Å; L774-F796 HydrophobicContact CD1-CE2 3.74Å; L774-F796 HydrophobicContact CG-CE2 4.4Å
775	T	98.2	Very high	95.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.3	-178.5	-51.8	0	0	0	0	111.2	Y602 V734 N735 L791 S792 Y841	Y602-T775 HydrophobicContact CD2-CG2 4.07Å; Y602-T775 HydrophobicContact CE1-CG2 4.43Å; Y602-T775 HydrophobicContact CE2-CG2 3.34Å; V734-T775 WeakPolarHBondContact CA-O 3.4Å; N735-T775 PolarHBondContact N-O 3.21Å; N735-T775 PolarHBondContact O-N 3.18Å; T775-L791 HydrophobicContact CG2-CB 4.2Å; T775-L791 HydrophobicContact CG2-CD1 4.21Å; T775-S792 WeakPolarHBondContact CA-O 3.28Å; T775-Y841 HydrophobicContact CG2-CE1 4.08Å; T775-Y841 PolarHBondContact OG1-OH 3.13Å
776	S	96.8	Very high	94.7	Very high	3 Å²	3	33 Å²	33	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	175.2	174.6	75.2	0	0	0	0	109.8	R731 S792	R731-S776 VanDerWaalsContact CZ-OG 3.3Å; R731-S776 PolarHBondContact NE-OG 3.42Å; R731-S776 PolarHBondContact NH2-OG 3.04Å; S776-S792 PolarHBondContact N-O 3.38Å; S776-S792 PolarHBondContact O-N 3.32Å
777	C	95.8	Very high	94.4	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	144.2	165.9	-145.9	0	0	0	0	110.3	D779 Q782 C787	C777-D779 VanDerWaalsContact C-N 3.33Å; C777-D779 WeakPolarHBondContact CB-O 3.41Å; C777-Q782 HydrophobicContact CB-CB 4.24Å; C777-C787 WeakPolarHBondContact CA-SG 3.47Å; C777-C787 HydrophobicContact CB-CB 3.56Å; C777-C787 WeakPolarHBondContact CB-SG 3.33Å; C777-C787 WeakPolarHBondContact SG-CB 3.25Å; C777-C787 CovalentContact SG-SG 2.05Å; C777-C787 PolarHBondContact SG-SG 3.46Å
778	L	94	Very high	93.8	Very high	103 Å²	103	39.9 Å²	39.9	54%	0.539	22%	0.219	S	C	.	.	S	Bend	trans	-68.7	-38.3	171.9	-176.9	66.1	0	0	0	110.6	F780 P790	L778-F780 PolarHBondContact O-N 2.95Å; L778-P790 HydrophobicContact CB-CB 4.17Å; L778-P790 WeakPolarHBondContact CB-O 3.3Å; L778-P790 HydrophobicContact CD2-CB 3.87Å; L778-P790 HydrophobicContact CD2-CG 4.38Å; L778-P790 PolarHBondContact N-O 3.15Å
779	D	93.6	Very high	93.5	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	22%	0.219	S	C	.	.	S	Bend	trans	-78.3	98.6	166.4	175.3	9	0	0	0	109.2	C777 T781 Q782	C777-D779 VanDerWaalsContact C-N 3.33Å; C777-D779 WeakPolarHBondContact CB-O 3.41Å; D779-T781 PolarHBondContact O-N 3.43Å; D779-T781 WeakPolarHBondContact OD1-CB 3.04Å; D779-T781 WeakPolarHBondContact OD1-CG2 3.46Å; D779-T781 PolarHBondContact OD1-N 2.56Å; D779-T781 VanDerWaalsContact OD1-N 3.09Å; D779-T781 PolarHBondContact OD1-OG1 3.13Å; D779-T781 PolarHBondContact OD2-OG1 2.88Å; D779-Q782 PolarHBondContact O-N 3.45Å; D779-Q782 VanDerWaalsContact O-N 3.09Å; D779-Q782 PolarHBondContact OD2-NE2 3.33Å
780	F	90.4	Very high	93.2	Very high	150 Å²	150	41.9 Å²	41.9	66%	0.658	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.1	-176.5	61.3	-95.1	0	0	0	113.9	N732 L778 Q782	N732-F780 WeakPolarHBondContact CB-O 3.07Å; N732-F780 PolarHBondContact ND2-O 3.32Å; L778-F780 PolarHBondContact O-N 2.95Å; F780-Q782 VanDerWaalsContact C-N 3.29Å
781	T	91.9	Very high	93.1	Very high	97 Å²	97	42.8 Å²	42.8	60%	0.595	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.4	171.9	70.4	0	0	0	0	112.1	N732 D779	N732-T781 PolarHBondContact ND2-O 3.03Å; D779-T781 PolarHBondContact O-N 3.43Å; D779-T781 WeakPolarHBondContact OD1-CB 3.04Å; D779-T781 WeakPolarHBondContact OD1-CG2 3.46Å; D779-T781 PolarHBondContact OD1-N 2.56Å; D779-T781 VanDerWaalsContact OD1-N 3.09Å; D779-T781 PolarHBondContact OD1-OG1 3.13Å; D779-T781 PolarHBondContact OD2-OG1 2.88Å
782	Q	93.1	Very high	93	Very high	49 Å²	49	44.2 Å²	44.2	23%	0.229	25%	0.249	C	C	.	.	S	Bend	trans	-92.7	139.4	176.1	-66.3	175.2	53.1	0	0	110.6	N732 C777 D779 F780 N788	N732-Q782 PolarHBondContact ND2-O 3.42Å; C777-Q782 HydrophobicContact CB-CB 4.24Å; D779-Q782 PolarHBondContact O-N 3.45Å; D779-Q782 VanDerWaalsContact O-N 3.09Å; D779-Q782 PolarHBondContact OD2-NE2 3.33Å; F780-Q782 VanDerWaalsContact C-N 3.29Å; Q782-N788 VanDerWaalsContact OE1-N 3.08Å
783	P	91.4	Very high	92.8	Very high	47 Å²	47	44.3 Å²	44.3	31%	0.305	25%	0.25	S	S	.	.			trans	-74.9	154.3	175.6	33.3	-34.7	0	0	0	111.4	N732 D785 S786 C787	N732-P783 VanDerWaalsContact O-CA 3.26Å; N732-P783 WeakPolarHBondContact O-CA 3.43Å; P783-D785 VanDerWaalsContact C-N 3.26Å; P783-D785 WeakPolarHBondContact CB-OD1 3.38Å; P783-D785 PolarHBondContact O-N 2.9Å; P783-S786 WeakPolarHBondContact CD-OG 3.38Å; P783-S786 WeakPolarHBondContact CG-OG 3.41Å; P783-S786 CarbonylContact O-C 3.56Å; P783-S786 PolarHBondContact O-N 3.45Å; P783-S786 VanDerWaalsContact O-N 3.13Å; P783-C787 PolarHBondContact O-N 3Å
784	A	89.9	Confident	92.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-60.9	-30.2	-172.9	0	0	0	0	0	114.8	Y602 N732 G733	Y602-A784 PolarHBondContact OH-O 3.11Å; N732-A784 PolarHBondContact O-N 3.02Å; G733-A784 WeakPolarHBondContact O-CB 3.32Å
785	D	83.8	Confident	92.8	Very high	75 Å²	75	44.5 Å²	44.5	40%	0.401	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-83.2	-8	179.7	57.1	-16	0	0	0	114.1	T638 P783	T638-D785 HydrophobicContact CG2-CB 4.29Å; P783-D785 VanDerWaalsContact C-N 3.26Å; P783-D785 WeakPolarHBondContact CB-OD1 3.38Å; P783-D785 PolarHBondContact O-N 2.9Å
786	S	85.5	Confident	92.8	Very high	63 Å²	63	44.4 Å²	44.4	44%	0.441	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-131.7	32.3	175.6	82.5	0	0	0	0	112.9	P783 N788	P783-S786 WeakPolarHBondContact CD-OG 3.38Å; P783-S786 WeakPolarHBondContact CG-OG 3.41Å; P783-S786 CarbonylContact O-C 3.56Å; P783-S786 PolarHBondContact O-N 3.45Å; P783-S786 VanDerWaalsContact O-N 3.13Å; S786-N788 PolarHBondContact O-N 2.9Å
787	C	89.4	Confident	92.9	Very high	22 Å²	22	44.4 Å²	44.4	15%	0.149	25%	0.251	C	S	.	.			trans	-74.6	119.2	-178.8	-177.3	0	0	0	0	111.9	C777 P783 L791	C777-C787 WeakPolarHBondContact CA-SG 3.47Å; C777-C787 HydrophobicContact CB-CB 3.56Å; C777-C787 WeakPolarHBondContact CB-SG 3.33Å; C777-C787 WeakPolarHBondContact SG-CB 3.25Å; C777-C787 CovalentContact SG-SG 2.05Å; C777-C787 PolarHBondContact SG-SG 3.46Å; P783-C787 PolarHBondContact O-N 3Å; C787-L791 HydrophobicContact CB-CD2 4.42Å
788	N	86	Confident	93.1	Very high	130 Å²	130	44.3 Å²	44.3	70%	0.695	25%	0.25	S	S	*	.			trans	-96.3	-14.8	177.3	-66.7	-44.5	0	0	0	113.5	Q782 S786	Q782-N788 VanDerWaalsContact OE1-N 3.08Å; S786-N788 PolarHBondContact O-N 2.9Å
789	G	90.6	Very high	93.3	Very high	13 Å²	13	39.7 Å²	39.7	13%	0.134	23%	0.227	C	C	.	.	S	Bend	trans	-99.7	-163.2	-173.5	0	0	0	0	0	115.1
790	P	93.8	Very high	93.5	Very high	57 Å²	57	37.2 Å²	37.2	37%	0.37	21%	0.213	S	C	.	.			trans	-58.9	148.3	169.8	-21	33	0	0	0	111.9	L778	L778-P790 HydrophobicContact CB-CB 4.17Å; L778-P790 WeakPolarHBondContact CB-O 3.3Å; L778-P790 HydrophobicContact CD2-CB 3.87Å; L778-P790 HydrophobicContact CD2-CG 4.38Å; L778-P790 PolarHBondContact N-O 3.15Å
791	L	96.5	Very high	93.8	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.094	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	155.1	177.9	-54.7	178.7	0	0	0	110.7	Y602 T775 C787 Y841 T844 L854	Y602-L791 HydrophobicContact CD1-CD1 3.83Å; Y602-L791 HydrophobicContact CD1-CD2 4.27Å; Y602-L791 HydrophobicContact CE1-CD1 3.92Å; Y602-L791 HydrophobicContact CE1-CD2 3.6Å; Y602-L791 HydrophobicContact CE1-CG 4.43Å; Y602-L791 HydrophobicContact CG-CD1 4.34Å; T775-L791 HydrophobicContact CG2-CB 4.2Å; T775-L791 HydrophobicContact CG2-CD1 4.21Å; C787-L791 HydrophobicContact CB-CD2 4.42Å; L791-Y841 HydrophobicContact CD1-CD1 4.35Å; L791-T844 HydrophobicContact CD1-CG2 4.43Å; L791-L854 HydrophobicContact CB-CD1 4.4Å; L791-L854 HydrophobicContact CB-CD2 3.78Å; L791-L854 HydrophobicContact CD1-CD2 3.99Å; L791-L854 HydrophobicContact CG-CD2 4.4Å; L791-L854 WeakPolarHBondContact O-CD1 3.49Å
792	S	96.3	Very high	94	Very high	30 Å²	30	31.2 Å²	31.2	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	166.9	176.1	0	0	0	0	108.5	R731 T775 S776	R731-S792 VanDerWaalsContact NH2-C 3.29Å; R731-S792 PolarHBondContact NH2-O 2.77Å; R731-S792 PolarHBondContact NH2-OG 2.9Å; R731-S792 VanDerWaalsContact NH2-OG 3.11Å; T775-S792 WeakPolarHBondContact CA-O 3.28Å; S776-S792 PolarHBondContact N-O 3.38Å; S776-S792 PolarHBondContact O-N 3.32Å
793	S	96.2	Very high	94.1	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.1	-179	63.9	0	0	0	0	112.3	L774 L854 Y857	L774-S793 CarbonylContact O-C 3.59Å; L774-S793 VanDerWaalsContact O-CA 3.27Å; L774-S793 WeakPolarHBondContact O-CA 3.36Å; S793-L854 WeakPolarHBondContact OG-CD1 3.49Å; S793-Y857 WeakPolarHBondContact O-CD1 3.44Å; S793-Y857 WeakPolarHBondContact O-CE1 3.42Å
794	A	97.4	Very high	94.4	Very high	5 Å²	5	30 Å²	30	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.2	166.1	0	0	0	0	0	108.3	L774 H859	L774-A794 PolarHBondContact N-O 2.92Å; L774-A794 PolarHBondContact O-N 2.98Å; A794-H859 HydrophobicContact CB-CB 4.3Å
795	A	98.6	Very high	94.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.5	179.3	0	0	0	0	0	111.3	V772 V773 T826 A827 V829 V832	V772-A795 CarbonylContact O-C 3.17Å; V772-A795 WeakPolarHBondContact O-CA 3.08Å; V773-A795 HydrophobicContact CG2-CB 4.12Å; A795-T826 CarbonylContact O-C 3.46Å; A795-T826 WeakPolarHBondContact O-CA 3.39Å; A795-A827 HydrophobicContact CB-CB 4.48Å; A795-A827 PolarHBondContact O-N 2.99Å; A795-V829 HydrophobicContact CB-CG2 4.24Å; A795-V832 HydrophobicContact CB-CG2 4.26Å
796	F	98.8	Very high	95.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146	178.4	-52.3	-82.4	0	0	0	109.9	F771 V772 L774 L798 M822 H825 Y861	F771-F796 CarbonylContact C-O 3.45Å; F771-F796 VanDerWaalsContact CA-O 3.27Å; F771-F796 WeakPolarHBondContact CA-O 3.43Å; V772-F796 HydrophobicContact CB-CB 4.37Å; V772-F796 HydrophobicContact CB-CD2 4.1Å; V772-F796 HydrophobicContact CG1-CD2 4.17Å; V772-F796 PolarHBondContact N-O 3.47Å; V772-F796 PolarHBondContact O-N 2.87Å; L774-F796 HydrophobicContact CD1-CE2 3.74Å; L774-F796 HydrophobicContact CG-CE2 4.4Å; F796-L798 HydrophobicContact CB-CD2 3.97Å; F796-L798 HydrophobicContact CB-CG 4.29Å; F796-M822 HydrophobicContact CD1-CB 4.1Å; F796-M822 HydrophobicContact CD1-CE 4.27Å; F796-M822 WeakPolarHBondContact CD1-O 3.4Å; F796-M822 HydrophobicContact CD2-CE 3.68Å; F796-M822 HydrophobicContact CE1-CB 4.03Å; F796-M822 HydrophobicContact CE1-CE 4.34Å; F796-M822 WeakPolarHBondContact CE1-O 3.44Å; F796-M822 HydrophobicContact CE2-CE 3.77Å; F796-M822 HydrophobicContact CG-CE 3.91Å; F796-M822 HydrophobicContact CZ-CE 4.08Å; F796-H825 WeakPolarHBondContact CA-O 3.21Å; F796-Y861 AromaticContact CE1-CE2 3.92Å; F796-Y861 HydrophobicContact CE1-CE2 3.92Å; F796-Y861 HydrophobicContact CZ-CE2 4.34Å; F796-Y861 AromaticContact CZ-CZ 3.99Å; F796-Y861 WeakPolarHBondContact CZ-OH 3.36Å
797	I	98.9	Very high	95.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	94.4	171.1	-61.2	158.8	0	0	0	107.2	K427 H769 H825 A827 D831 V832 L835	K427-I797 HydrophobicContact CB-CD1 4.11Å; K427-I797 HydrophobicContact CB-CG2 4.35Å; K427-I797 HydrophobicContact CG-CG2 3.96Å; H769-I797 HydrophobicContact CB-CG2 3.68Å; I797-H825 PolarHBondContact N-O 2.83Å; I797-A827 HydrophobicContact CD1-CB 3.55Å; I797-A827 HydrophobicContact CG1-CB 3.81Å; I797-D831 HydrophobicContact CD1-CB 3.74Å; I797-V832 HydrophobicContact CD1-CG2 4.33Å; I797-V832 HydrophobicContact CG1-CG2 4.06Å; I797-L835 HydrophobicContact CD1-CD1 3.45Å; I797-L835 VanDerWaalsContact CD1-CD1 3.45Å; I797-L835 HydrophobicContact CG1-CD1 4.3Å; I797-L835 HydrophobicContact CG2-CD1 4.16Å
798	L	98.8	Very high	95.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.2	-169.9	-54.6	-179.9	0	0	0	110.5	F712 I715 H769 Y770 F796 H800 M822 H825	F712-L798 HydrophobicContact CE2-CB 3.77Å; F712-L798 HydrophobicContact CZ-CB 3.87Å; F712-L798 HydrophobicContact CZ-CD1 4.39Å; I715-L798 HydrophobicContact CG2-CD1 4.16Å; H769-L798 CarbonylContact C-O 3.58Å; H769-L798 WeakPolarHBondContact CA-O 3.19Å; H769-L798 VanDerWaalsContact CB-O 3.26Å; H769-L798 WeakPolarHBondContact CB-O 3.49Å; Y770-L798 PolarHBondContact N-O 2.96Å; Y770-L798 PolarHBondContact O-N 3.48Å; F796-L798 HydrophobicContact CB-CD2 3.97Å; F796-L798 HydrophobicContact CB-CG 4.29Å; L798-H800 PolarHBondContact O-N 2.84Å; L798-M822 HydrophobicContact CD1-CE 4.33Å; L798-M822 HydrophobicContact CD1-CG 4.28Å; L798-M822 HydrophobicContact CD2-CB 4.29Å; L798-M822 HydrophobicContact CD2-CG 3.84Å; L798-H825 HydrophobicContact CD2-CB 4.08Å
799	P	98.5	Very high	95.9	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.045	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	124.5	-178.3	29.1	-35.7	0	0	0	111.2	F712 H769 R801	F712-P799 VanDerWaalsContact CD2-O 3.3Å; F712-P799 WeakPolarHBondContact CD2-O 3.34Å; F712-P799 WeakPolarHBondContact CE2-O 3.45Å; H769-P799 WeakPolarHBondContact CD2-CA 3.01Å; P799-R801 HydrophobicContact CB-CG 4.18Å; P799-R801 PolarHBondContact O-N 2.81Å; P799-R801 VanDerWaalsContact O-N 3.13Å
800	H	98.4	Very high	96.1	Very high	11 Å²	11	28.6 Å²	28.6	5%	0.051	17%	0.167	C	C	.	.			trans	-85.3	88.3	-178.5	-177	-140.6	0	0	0	110	P707 M708 Y709 F712 P767 S768 Y770 L798	P707-H800 PolarHBondContact O-CE1 2.78Å; P707-H800 VanDerWaalsContact O-CE1 3.26Å; M708-H800 VanDerWaalsContact CA-NE2 3.29Å; M708-H800 WeakPolarHBondContact CA-NE2 3.37Å; Y709-H800 AromaticContact CD2-CD2 3.61Å; Y709-H800 AromaticContact CD2-CE1 3.54Å; Y709-H800 AromaticContact CD2-NE2 3.25Å; Y709-H800 WeakPolarHBondContact CD2-NE2 3.47Å; Y709-H800 AromaticContact CE2-CE1 3.86Å; Y709-H800 AromaticContact CG-NE2 3.75Å; Y709-H800 PolarHBondContact N-NE2 2.71Å; F712-H800 AromaticContact CD1-CD2 3.8Å; F712-H800 AromaticContact CG-CD2 3.59Å; P767-H800 WeakPolarHBondContact O-CB 3.42Å; P767-H800 PolarHBondContact O-ND1 3.43Å; S768-H800 VanDerWaalsContact O-CB 3.32Å; S768-H800 WeakPolarHBondContact O-CB 3.43Å; S768-H800 PolarHBondContact O-N 3.35Å; Y770-H800 HydrophobicContact CD2-CB 4.17Å; Y770-H800 HydrophobicContact CE2-CB 4.28Å; Y770-H800 AromaticContact CE2-CD2 3.95Å; Y770-H800 AromaticContact CE2-CG 3.81Å; L798-H800 PolarHBondContact O-N 2.84Å
801	R	96.6	Very high	96.1	Very high	38 Å²	38	31.1 Å²	31.1	14%	0.143	19%	0.186	C	C	.	.			trans	-111.4	150	-172.3	-69.7	178.9	58.5	-177.8	-5.2	113.1	Y709 P799 N803 E806	Y709-R801 WeakPolarHBondContact CB-O 3.21Å; Y709-R801 WeakPolarHBondContact CD2-O 3.47Å; P799-R801 HydrophobicContact CB-CG 4.18Å; P799-R801 PolarHBondContact O-N 2.81Å; P799-R801 VanDerWaalsContact O-N 3.13Å; R801-N803 WeakPolarHBondContact CB-O 3.33Å; R801-N803 PolarHBondContact NH2-OD1 3.38Å; R801-N803 VanDerWaalsContact NH2-OD1 3.12Å; R801-N803 PolarHBondContact O-N 3.42Å; R801-E806 IonicContact NH1-OE2 2.79Å
802	P	95.8	Very high	96	Very high	83 Å²	83	34.1 Å²	34.1	54%	0.539	20%	0.199	S	C	.	.	S	Bend	trans	-73.2	-11.4	177.9	30.3	-36.4	0	0	0	113.7	Y709 A711	Y709-P802 HydrophobicContact CD1-CB 3.87Å; Y709-P802 HydrophobicContact CD2-CB 4.35Å; Y709-P802 HydrophobicContact CE1-CB 3.96Å; Y709-P802 HydrophobicContact CE2-CB 4.41Å; Y709-P802 HydrophobicContact CG-CB 4.11Å; A711-P802 VanDerWaalsContact CB-O 3.3Å; A711-P802 WeakPolarHBondContact CB-O 3.43Å
803	N	95.5	Very high	96	Very high	56 Å²	56	37.1 Å²	37.1	30%	0.299	21%	0.213	S	C	.	.			trans	-142.1	164.9	177.9	64.5	32.7	0	0	0	111.3	R801 D805	R801-N803 WeakPolarHBondContact CB-O 3.33Å; R801-N803 PolarHBondContact NH2-OD1 3.38Å; R801-N803 VanDerWaalsContact NH2-OD1 3.12Å; R801-N803 PolarHBondContact O-N 3.42Å; N803-D805 PolarHBondContact ND2-OD2 3.34Å; N803-D805 PolarHBondContact OD1-OD2 3.45Å
804	N	96.9	Very high	96.1	Very high	15 Å²	15	39.2 Å²	39.2	8%	0.08	22%	0.223	C	C	.	.			trans	-105.5	27	178.6	-67.6	-41.8	0	0	0	112.1	A711 I715 E806 T807 S810 W817	A711-N804 PolarHBondContact O-ND2 3.11Å; I715-N804 WeakPolarHBondContact CD1-OD1 3.28Å; N804-E806 PolarHBondContact O-N 3.48Å; N804-E806 VanDerWaalsContact O-N 3.07Å; N804-T807 PolarHBondContact O-N 2.98Å; N804-T807 VanDerWaalsContact O-O 3.11Å; N804-S810 PolarHBondContact O-OG 3.26Å; N804-W817 HydrophobicContact CB-CH2 4.07Å; N804-W817 HydrophobicContact CB-CZ3 4.41Å
805	D	93.9	Very high	96	Very high	76 Å²	76	41.8 Å²	41.8	41%	0.406	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19	-176.4	-62	-4.6	0	0	0	113.1	T409 N803 T807	T409-D805 HydrophobicContact CG2-CB 4.08Å; T409-D805 WeakPolarHBondContact CG2-O 3.49Å; N803-D805 PolarHBondContact ND2-OD2 3.34Å; N803-D805 PolarHBondContact OD1-OD2 3.45Å; D805-T807 PolarHBondContact O-N 3.05Å
806	E	94.5	Very high	95.9	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.2	169.6	-168.9	175.3	146.8	0	0	111.2	K418 Y420 R801 N804 L821 H825	K418-E806 HydrophobicContact CD-CG 3.96Å; K418-E806 WeakPolarHBondContact CD-O 3.21Å; K418-E806 PolarHBondContact NZ-O 2.84Å; Y420-E806 HydrophobicContact CE1-CG 3.84Å; Y420-E806 WeakPolarHBondContact OH-CG 3.37Å; Y420-E806 PolarHBondContact OH-OE1 3.33Å; R801-E806 IonicContact NH1-OE2 2.79Å; N804-E806 PolarHBondContact O-N 3.48Å; N804-E806 VanDerWaalsContact O-N 3.07Å; E806-L821 VanDerWaalsContact CD-CD1 3.48Å; E806-L821 HydrophobicContact CG-CD1 4.2Å; E806-L821 WeakPolarHBondContact OE1-CD1 3.49Å; E806-H825 IonicContact OE1-CD2 2.98Å; E806-H825 IonicContact OE1-CE1 2.66Å; E806-H825 IonicContact OE1-NE2 3.99Å; E806-H825 PolarHBondContact OE1-NE2 3.46Å; E806-H825 IonicContact OE2-NE2 3.66Å; E806-H825 PolarHBondContact OE2-NE2 3.35Å
807	T	93.6	Very high	95.8	Very high	18 Å²	18	50.5 Å²	50.5	11%	0.11	27%	0.273	C	S	.	.	S	Bend	trans	-107.5	108.7	-177.2	-57.7	0	0	0	0	109.8	N804 D805 N809 S810 W817	N804-T807 PolarHBondContact O-N 2.98Å; N804-T807 VanDerWaalsContact O-O 3.11Å; D805-T807 PolarHBondContact O-N 3.05Å; T807-N809 PolarHBondContact O-N 3.37Å; T807-N809 VanDerWaalsContact O-N 3.16Å; T807-S810 WeakPolarHBondContact O-CB 3.46Å; T807-S810 PolarHBondContact O-N 2.96Å; T807-S810 PolarHBondContact O-OG 3.26Å; T807-W817 HydrophobicContact CG2-CB 3.46Å; T807-W817 VanDerWaalsContact CG2-CB 3.46Å; T807-W817 HydrophobicContact CG2-CD2 3.86Å; T807-W817 HydrophobicContact CG2-CE3 3.66Å; T807-W817 HydrophobicContact CG2-CG 3.81Å
808	C	92.2	Very high	95.8	Very high	61 Å²	61	50.4 Å²	50.4	41%	0.412	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.9	-178	-56.9	0	0	0	0	114.1	C410 S810	C410-C808 WeakPolarHBondContact CA-SG 3.4Å; C410-C808 HydrophobicContact CB-CB 3.66Å; C410-C808 WeakPolarHBondContact CB-SG 3.27Å; C410-C808 WeakPolarHBondContact SG-CA 3.1Å; C410-C808 WeakPolarHBondContact SG-CB 3.4Å; C410-C808 CovalentContact SG-SG 2.04Å; C410-C808 PolarHBondContact SG-SG 2.89Å; C808-S810 VanDerWaalsContact C-N 3.34Å
809	N	92.5	Very high	95.7	Very high	82 Å²	82	52 Å²	52	44%	0.439	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	18	179.2	-63.6	34.6	0	0	0	112.3	T807 S811 E812	T807-N809 PolarHBondContact O-N 3.37Å; T807-N809 VanDerWaalsContact O-N 3.16Å; N809-S811 PolarHBondContact O-N 2.86Å; N809-S811 VanDerWaalsContact O-N 3.11Å; N809-E812 HydrophobicContact CB-CG 4.32Å; N809-E812 WeakPolarHBondContact CB-OE1 3.29Å; N809-E812 PolarHBondContact ND2-OE1 3.45Å; N809-E812 VanDerWaalsContact O-CB 3.29Å; N809-E812 WeakPolarHBondContact O-CB 3.36Å; N809-E812 PolarHBondContact O-N 3.48Å
810	S	93.7	Very high	95.6	Very high	22 Å²	22	56.4 Å²	56.4	15%	0.154	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12	-178	60	0	0	0	0	114.5	R714 N804 T807 C808 E812	R714-S810 PolarHBondContact NH1-O 3.34Å; R714-S810 PolarHBondContact NH2-O 2.86Å; N804-S810 PolarHBondContact O-OG 3.26Å; T807-S810 WeakPolarHBondContact O-CB 3.46Å; T807-S810 PolarHBondContact O-N 2.96Å; T807-S810 PolarHBondContact O-OG 3.26Å; C808-S810 VanDerWaalsContact C-N 3.34Å; S810-E812 VanDerWaalsContact C-N 3.27Å
811	S	93.7	Very high	95.6	Very high	110 Å²	110	56.5 Å²	56.5	77%	0.769	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.1	168.4	55.6	0	0	0	0	113.4	N809	N809-S811 PolarHBondContact O-N 2.86Å; N809-S811 VanDerWaalsContact O-N 3.11Å
812	E	95.4	Very high	95.7	Very high	81 Å²	81	54.7 Å²	54.7	38%	0.379	30%	0.297	S	S	.	.	S	Bend	trans	-78.5	173.5	174.7	-58.5	179.4	-146.4	0	0	111.7	R714 N809 S810 R816 W817	R714-E812 PolarHBondContact NH2-O 3.47Å; N809-E812 HydrophobicContact CB-CG 4.32Å; N809-E812 WeakPolarHBondContact CB-OE1 3.29Å; N809-E812 PolarHBondContact ND2-OE1 3.45Å; N809-E812 VanDerWaalsContact O-CB 3.29Å; N809-E812 WeakPolarHBondContact O-CB 3.36Å; N809-E812 PolarHBondContact O-N 3.48Å; S810-E812 VanDerWaalsContact C-N 3.27Å; E812-R816 HydrophobicContact CB-CB 4.33Å; E812-R816 HydrophobicContact CB-CG 4.44Å; E812-W817 PolarHBondContact O-NE1 3.02Å
813	D	96.6	Very high	95.8	Very high	94 Å²	94	53.1 Å²	53.1	50%	0.503	28%	0.282	S	S	.	.			trans	-55.9	141.3	172.7	-177.4	-90.2	0	0	0	111.2	S815 R816 W817	D813-S815 PolarHBondContact O-N 2.73Å; D813-S815 WeakPolarHBondContact OD1-CB 3Å; D813-S815 PolarHBondContact OD1-N 3.41Å; D813-S815 PolarHBondContact OD1-OG 2.62Å; D813-R816 WeakPolarHBondContact O-CB 3.26Å; D813-R816 PolarHBondContact O-N 3.2Å; D813-W817 VanDerWaalsContact O-CD1 3.28Å
814	E	97.4	Very high	95.9	Very high	46 Å²	46	52.8 Å²	52.8	22%	0.215	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28	-175.8	-70.7	77.4	-165	0	0	113.5	R714 Y718 R816 W817 V818	R714-E814 HydrophobicContact CB-CG 4.35Å; R714-E814 IonicContact CZ-OE1 3.59Å; R714-E814 VanDerWaalsContact CZ-OE1 3.25Å; R714-E814 IonicContact NE-OE1 2.75Å; R714-E814 PolarHBondContact NE-OE1 3.49Å; R714-E814 IonicContact NH2-OE1 2.73Å; R714-E814 PolarHBondContact NH2-OE1 3.37Å; Y718-E814 HydrophobicContact CD1-CB 4.39Å; Y718-E814 HydrophobicContact CD2-CB 3.38Å; Y718-E814 HydrophobicContact CD2-CG 4.46Å; Y718-E814 HydrophobicContact CE2-CB 4.07Å; Y718-E814 HydrophobicContact CG-CB 3.57Å; Y718-E814 HydrophobicContact CG-CG 4.48Å; E814-R816 PolarHBondContact O-N 3.39Å; E814-W817 HydrophobicContact CG-CZ2 4.39Å; E814-W817 PolarHBondContact O-N 3.23Å; E814-V818 HydrophobicContact CB-CG2 3.7Å; E814-V818 HydrophobicContact CG-CG2 4.01Å; E814-V818 WeakPolarHBondContact O-CB 3.15Å; E814-V818 WeakPolarHBondContact O-CG2 3.34Å; E814-V818 PolarHBondContact O-N 3.26Å
815	S	96.6	Very high	96	Very high	59 Å²	59	52.2 Å²	52.2	41%	0.413	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-63	-19.1	176.7	65.9	0	0	0	0	114.8	Y718 D813	Y718-S815 VanDerWaalsContact CZ-CA 3.5Å; Y718-S815 VanDerWaalsContact OH-CA 3.29Å; Y718-S815 WeakPolarHBondContact OH-CA 3.29Å; Y718-S815 WeakPolarHBondContact OH-CB 3.41Å; D813-S815 PolarHBondContact O-N 2.73Å; D813-S815 WeakPolarHBondContact OD1-CB 3Å; D813-S815 PolarHBondContact OD1-N 3.41Å; D813-S815 PolarHBondContact OD1-OG 2.62Å
816	R	96.3	Very high	96.2	Very high	177 Å²	177	48.6 Å²	48.6	67%	0.668	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-85.4	-16.1	-179.1	-62.2	-62.2	-174.8	175.1	0.3	113.7	E812 D813 E814	E812-R816 HydrophobicContact CB-CB 4.33Å; E812-R816 HydrophobicContact CB-CG 4.44Å; D813-R816 WeakPolarHBondContact O-CB 3.26Å; D813-R816 PolarHBondContact O-N 3.2Å; E814-R816 PolarHBondContact O-N 3.39Å
817	W	96.5	Very high	96.4	Very high	7 Å²	7	48 Å²	48	3%	0.027	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.6	-24.4	-167.5	67.9	-93	0	0	0	116.8	I715 N804 T807 E812 D813 E814 E819 D820 L821	I715-W817 HydrophobicContact CD1-CH2 4.13Å; I715-W817 HydrophobicContact CD1-CZ3 4.07Å; I715-W817 HydrophobicContact CG1-CH2 3.55Å; I715-W817 HydrophobicContact CG1-CZ3 3.71Å; N804-W817 HydrophobicContact CB-CH2 4.07Å; N804-W817 HydrophobicContact CB-CZ3 4.41Å; T807-W817 HydrophobicContact CG2-CB 3.46Å; T807-W817 VanDerWaalsContact CG2-CB 3.46Å; T807-W817 HydrophobicContact CG2-CD2 3.86Å; T807-W817 HydrophobicContact CG2-CE3 3.66Å; T807-W817 HydrophobicContact CG2-CG 3.81Å; E812-W817 PolarHBondContact O-NE1 3.02Å; D813-W817 VanDerWaalsContact O-CD1 3.28Å; E814-W817 HydrophobicContact CG-CZ2 4.39Å; E814-W817 PolarHBondContact O-N 3.23Å; W817-E819 PolarHBondContact O-N 3.4Å; W817-D820 PolarHBondContact O-N 3.3Å; W817-L821 HydrophobicContact CE3-CD2 4.48Å; W817-L821 HydrophobicContact CZ3-CD2 3.92Å; W817-L821 PolarHBondContact O-N 3.06Å
818	V	98.3	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.9	-41.8	-175.4	170.5	0	0	0	0	111.4	I715 Y718 L723 E814 D820 L821 M822	I715-V818 HydrophobicContact CB-CG1 4.48Å; I715-V818 HydrophobicContact CG1-CG2 4.35Å; I715-V818 HydrophobicContact CG2-CG1 4.02Å; Y718-V818 HydrophobicContact CD1-CB 3.68Å; Y718-V818 HydrophobicContact CD1-CG1 3.64Å; Y718-V818 HydrophobicContact CD1-CG2 4.29Å; Y718-V818 HydrophobicContact CE1-CB 4.24Å; Y718-V818 HydrophobicContact CE1-CG1 4.45Å; Y718-V818 HydrophobicContact CG-CB 4.3Å; Y718-V818 HydrophobicContact CG-CG1 4.36Å; Y718-V818 HydrophobicContact CG-CG2 4.42Å; L723-V818 HydrophobicContact CD1-CG1 4.45Å; E814-V818 HydrophobicContact CB-CG2 3.7Å; E814-V818 HydrophobicContact CG-CG2 4.01Å; E814-V818 WeakPolarHBondContact O-CB 3.15Å; E814-V818 WeakPolarHBondContact O-CG2 3.34Å; E814-V818 PolarHBondContact O-N 3.26Å; V818-D820 VanDerWaalsContact C-N 3.3Å; V818-D820 PolarHBondContact O-N 3.23Å; V818-L821 PolarHBondContact O-N 3.13Å; V818-M822 HydrophobicContact CG1-CG 4.43Å; V818-M822 HydrophobicContact CG1-SD 4.35Å; V818-M822 WeakPolarHBondContact O-CG 3.42Å; V818-M822 PolarHBondContact O-N 3.3Å
819	E	97.4	Very high	97	Very high	36 Å²	36	44.3 Å²	44.3	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-38.1	179.3	-166	179.9	143.2	0	0	111.5	L723 K726 W817 M822 K823	L723-E819 HydrophobicContact CD1-CB 4.48Å; L723-E819 HydrophobicContact CD2-CB 4.41Å; L723-E819 HydrophobicContact CD2-CG 4.29Å; K726-E819 VanDerWaalsContact NZ-CD 3.32Å; K726-E819 IonicContact NZ-OE1 3.16Å; K726-E819 PolarHBondContact NZ-OE1 3.29Å; K726-E819 VanDerWaalsContact NZ-OE1 3.16Å; K726-E819 IonicContact NZ-OE2 2.96Å; K726-E819 PolarHBondContact NZ-OE2 3.35Å; W817-E819 PolarHBondContact O-N 3.4Å; E819-M822 PolarHBondContact O-N 2.78Å; E819-K823 HydrophobicContact CG-CD 4.46Å; E819-K823 VanDerWaalsContact O-CG 3.24Å; E819-K823 WeakPolarHBondContact O-CG 3.15Å; E819-K823 PolarHBondContact O-N 3.18Å; E819-K823 WeakPolarHBondContact OE1-CE 3.37Å; E819-K823 IonicContact OE1-NZ 3.81Å; E819-K823 PolarHBondContact OE1-NZ 3.1Å
820	D	96.6	Very high	97.3	Very high	98 Å²	98	43.5 Å²	43.5	52%	0.524	22%	0.22	S	C	.	.	H	α-helix	trans	-70.6	-37.1	178.7	-69.2	-17.3	0	0	0	112.2	W817 V818 K823 M824	W817-D820 PolarHBondContact O-N 3.3Å; V818-D820 VanDerWaalsContact C-N 3.3Å; V818-D820 PolarHBondContact O-N 3.23Å; D820-K823 PolarHBondContact O-N 3.3Å; D820-K823 IonicContact OD1-NZ 3.25Å; D820-M824 PolarHBondContact O-N 2.93Å
821	L	98	Very high	97.6	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-47.7	169.5	179.5	71	0	0	0	110.9	I715 E806 W817 V818 K823 M824 H825	I715-L821 HydrophobicContact CD1-CD2 3.37Å; I715-L821 HydrophobicContact CG1-CD2 3.98Å; E806-L821 VanDerWaalsContact CD-CD1 3.48Å; E806-L821 HydrophobicContact CG-CD1 4.2Å; E806-L821 WeakPolarHBondContact OE1-CD1 3.49Å; W817-L821 HydrophobicContact CE3-CD2 4.48Å; W817-L821 HydrophobicContact CZ3-CD2 3.92Å; W817-L821 PolarHBondContact O-N 3.06Å; V818-L821 PolarHBondContact O-N 3.13Å; L821-K823 PolarHBondContact O-N 3.39Å; L821-M824 WeakPolarHBondContact O-CB 3.27Å; L821-M824 PolarHBondContact O-N 3.31Å; L821-H825 PolarHBondContact O-CD2 2.85Å; L821-H825 PolarHBondContact O-N 2.86Å; L821-H825 VanDerWaalsContact O-N 3.12Å
822	M	98.2	Very high	97.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-44.5	177.8	-69.3	-171.6	62.6	0	0	111.3	F719 L723 F796 L798 V818 E819 M824 H825 T826	F719-M822 HydrophobicContact CB-SD 4.15Å; F719-M822 HydrophobicContact CD2-CE 3.56Å; F719-M822 HydrophobicContact CD2-SD 3.89Å; F719-M822 HydrophobicContact CE2-CE 3.95Å; F719-M822 HydrophobicContact CG-CE 4.29Å; F719-M822 HydrophobicContact CG-SD 4.33Å; L723-M822 HydrophobicContact CD1-SD 3.44Å; L723-M822 WeakPolarHBondContact CD1-SD 3.35Å; F796-M822 HydrophobicContact CD1-CB 4.1Å; F796-M822 HydrophobicContact CD1-CE 4.27Å; F796-M822 WeakPolarHBondContact CD1-O 3.4Å; F796-M822 HydrophobicContact CD2-CE 3.68Å; F796-M822 HydrophobicContact CE1-CB 4.03Å; F796-M822 HydrophobicContact CE1-CE 4.34Å; F796-M822 WeakPolarHBondContact CE1-O 3.44Å; F796-M822 HydrophobicContact CE2-CE 3.77Å; F796-M822 HydrophobicContact CG-CE 3.91Å; F796-M822 HydrophobicContact CZ-CE 4.08Å; L798-M822 HydrophobicContact CD1-CE 4.33Å; L798-M822 HydrophobicContact CD1-CG 4.28Å; L798-M822 HydrophobicContact CD2-CB 4.29Å; L798-M822 HydrophobicContact CD2-CG 3.84Å; V818-M822 HydrophobicContact CG1-CG 4.43Å; V818-M822 HydrophobicContact CG1-SD 4.35Å; V818-M822 WeakPolarHBondContact O-CG 3.42Å; V818-M822 PolarHBondContact O-N 3.3Å; E819-M822 PolarHBondContact O-N 2.78Å; M822-M824 VanDerWaalsContact C-N 3.29Å; M822-M824 PolarHBondContact O-N 3.45Å; M822-H825 CarbonylContact O-C 3.5Å; M822-H825 PolarHBondContact O-N 2.96Å; M822-H825 VanDerWaalsContact O-N 3.12Å; M822-T826 PolarHBondContact O-N 3.06Å
823	K	97.9	Very high	98	Very high	50 Å²	50	33.7 Å²	33.7	22%	0.217	16%	0.16	C	C	.	.	H	α-helix	trans	-59.9	-36.9	176	-70.6	170	-179.1	155.1	0	112.7	E819 D820 L821 H825 T826 Y861	E819-K823 HydrophobicContact CG-CD 4.46Å; E819-K823 VanDerWaalsContact O-CG 3.24Å; E819-K823 WeakPolarHBondContact O-CG 3.15Å; E819-K823 PolarHBondContact O-N 3.18Å; E819-K823 WeakPolarHBondContact OE1-CE 3.37Å; E819-K823 IonicContact OE1-NZ 3.81Å; E819-K823 PolarHBondContact OE1-NZ 3.1Å; D820-K823 PolarHBondContact O-N 3.3Å; D820-K823 IonicContact OD1-NZ 3.25Å; L821-K823 PolarHBondContact O-N 3.39Å; K823-H825 VanDerWaalsContact C-N 3.33Å; K823-T826 WeakPolarHBondContact O-CB 3.29Å; K823-T826 WeakPolarHBondContact O-CG2 3.35Å; K823-T826 PolarHBondContact O-N 3.46Å; K823-Y861 HydrophobicContact CB-CD2 3.94Å; K823-Y861 HydrophobicContact CB-CE2 4.48Å; K823-Y861 HydrophobicContact CB-CG 4.13Å; K823-Y861 HydrophobicContact CD-CD1 4.14Å; K823-Y861 HydrophobicContact CD-CG 4.09Å; K823-Y861 HydrophobicContact CG-CD1 3.82Å; K823-Y861 HydrophobicContact CG-CD2 3.73Å; K823-Y861 HydrophobicContact CG-CE1 4.18Å; K823-Y861 HydrophobicContact CG-CE2 4.1Å; K823-Y861 HydrophobicContact CG-CG 3.6Å
824	M	98.1	Very high	98.1	Very high	49 Å²	49	31.4 Å²	31.4	24%	0.241	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-41.5	175.1	-178.8	55.5	68.4	0	0	111.8	P426 R428 L443 D820 L821 M822 T826	P426-M824 HydrophobicContact CG-CG 3.9Å; P426-M824 HydrophobicContact CG-SD 4.04Å; R428-M824 PolarHBondContact NE-O 3.34Å; R428-M824 VanDerWaalsContact NE-O 3.15Å; R428-M824 PolarHBondContact NH2-O 2.73Å; L443-M824 HydrophobicContact CD2-CE 4.45Å; L443-M824 HydrophobicContact CD2-SD 4.09Å; D820-M824 PolarHBondContact O-N 2.93Å; L821-M824 WeakPolarHBondContact O-CB 3.27Å; L821-M824 PolarHBondContact O-N 3.31Å; M822-M824 VanDerWaalsContact C-N 3.29Å; M822-M824 PolarHBondContact O-N 3.45Å; M824-T826 VanDerWaalsContact C-N 3.33Å; M824-T826 PolarHBondContact O-N 2.96Å
825	H	98.8	Very high	98.1	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.014	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	26.1	179	-69.2	-75.3	0	0	0	113.9	F796 I797 L798 E806 L821 M822 K823	F796-H825 WeakPolarHBondContact CA-O 3.21Å; I797-H825 PolarHBondContact N-O 2.83Å; L798-H825 HydrophobicContact CD2-CB 4.08Å; E806-H825 IonicContact OE1-CD2 2.98Å; E806-H825 IonicContact OE1-CE1 2.66Å; E806-H825 IonicContact OE1-NE2 3.99Å; E806-H825 PolarHBondContact OE1-NE2 3.46Å; E806-H825 IonicContact OE2-NE2 3.66Å; E806-H825 PolarHBondContact OE2-NE2 3.35Å; L821-H825 PolarHBondContact O-CD2 2.85Å; L821-H825 PolarHBondContact O-N 2.86Å; L821-H825 VanDerWaalsContact O-N 3.12Å; M822-H825 CarbonylContact O-C 3.5Å; M822-H825 PolarHBondContact O-N 2.96Å; M822-H825 VanDerWaalsContact O-N 3.12Å; K823-H825 VanDerWaalsContact C-N 3.33Å
826	T	98.8	Very high	98.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	152.2	165.8	-169.6	0	0	0	0	110.3	R428 A795 M822 K823 M824 M858 H859	R428-T826 WeakPolarHBondContact CD-O 3.37Å; R428-T826 WeakPolarHBondContact CG-O 3.46Å; A795-T826 CarbonylContact O-C 3.46Å; A795-T826 WeakPolarHBondContact O-CA 3.39Å; M822-T826 PolarHBondContact O-N 3.06Å; K823-T826 WeakPolarHBondContact O-CB 3.29Å; K823-T826 WeakPolarHBondContact O-CG2 3.35Å; K823-T826 PolarHBondContact O-N 3.46Å; M824-T826 VanDerWaalsContact C-N 3.33Å; M824-T826 PolarHBondContact O-N 2.96Å; T826-M858 HydrophobicContact CG2-CG 4.4Å; T826-M858 HydrophobicContact CG2-SD 4.46Å; T826-H859 WeakPolarHBondContact CG2-O 3.35Å; T826-H859 PolarHBondContact OG1-O 3.3Å
827	A	98.8	Very high	98.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	165.7	-175.7	0	0	0	0	0	111.2	A795 I797 D831	A795-A827 HydrophobicContact CB-CB 4.48Å; A795-A827 PolarHBondContact O-N 2.99Å; I797-A827 HydrophobicContact CD1-CB 3.55Å; I797-A827 HydrophobicContact CG1-CB 3.81Å; A827-D831 HydrophobicContact CB-CB 4.33Å
828	R	98.8	Very high	98.4	Very high	1 Å²	1	19.1 Å²	19.1	0%	0.004	10%	0.096	C	C	.	.			trans	-81.8	154.4	164.6	-56.2	173.3	-55.8	158.7	11.7	108.7	Y218 E497 R830 D831 V832 T856 M858	Y218-R828 PolarHBondContact OH-NH1 3.19Å; Y218-R828 PolarHBondContact OH-NH2 2.95Å; E497-R828 IonicContact OE2-CZ 3.62Å; E497-R828 IonicContact OE2-NE 3.84Å; E497-R828 IonicContact OE2-NH1 2.96Å; E497-R828 PolarHBondContact OE2-NH1 2.91Å; R828-R830 HydrophobicContact CB-CB 4.27Å; R828-R830 PolarHBondContact O-N 3.43Å; R828-D831 VanDerWaalsContact CB-OD2 3.26Å; R828-D831 WeakPolarHBondContact CB-OD2 3.34Å; R828-D831 WeakPolarHBondContact CG-OD2 3.26Å; R828-D831 IonicContact CZ-OD1 3.89Å; R828-D831 PolarHBondContact N-OD2 2.98Å; R828-D831 IonicContact NE-OD1 3.65Å; R828-D831 PolarHBondContact NE-OD1 3.19Å; R828-D831 VanDerWaalsContact NE-OD1 3.11Å; R828-D831 IonicContact NE-OD2 2.7Å; R828-D831 PolarHBondContact NE-OD2 2.96Å; R828-D831 IonicContact NH2-OD1 3.89Å; R828-D831 PolarHBondContact NH2-OD1 3.36Å; R828-D831 WeakPolarHBondContact O-CB 3.33Å; R828-D831 PolarHBondContact O-N 2.91Å; R828-D831 VanDerWaalsContact O-N 3.09Å; R828-V832 PolarHBondContact O-N 3.49Å; R828-T856 WeakPolarHBondContact CD-O 3.39Å; R828-M858 HydrophobicContact CG-CB 3.82Å; R828-M858 HydrophobicContact CG-CG 4.25Å
829	V	98.9	Very high	98.5	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-61.1	-33	167.9	176	0	0	0	0	110.1	V773 A795 D831 V832 E833 L840 Y841 K855	V773-V829 HydrophobicContact CG1-CG2 3.88Å; A795-V829 HydrophobicContact CB-CG2 4.24Å; V829-D831 VanDerWaalsContact C-N 3.28Å; V829-D831 PolarHBondContact O-N 3.25Å; V829-V832 WeakPolarHBondContact O-CB 3.38Å; V829-V832 PolarHBondContact O-N 3.45Å; V829-V832 VanDerWaalsContact O-N 3.11Å; V829-E833 HydrophobicContact CG1-CG 4.49Å; V829-E833 WeakPolarHBondContact O-CG 3.5Å; V829-E833 PolarHBondContact O-N 3.29Å; V829-L840 HydrophobicContact CG1-CB 4.31Å; V829-L840 HydrophobicContact CG1-CD2 3.79Å; V829-Y841 HydrophobicContact CB-CE2 4.29Å; V829-Y841 HydrophobicContact CG1-CD2 4.47Å; V829-Y841 HydrophobicContact CG1-CE2 3.78Å; V829-Y841 HydrophobicContact CG2-CE2 4.03Å; V829-K855 HydrophobicContact CB-CB 4.48Å; V829-K855 HydrophobicContact CB-CG 4.45Å; V829-K855 HydrophobicContact CG1-CG 4.21Å; V829-K855 PolarHBondContact N-O 3.18Å
830	R	98.8	Very high	98.5	Very high	65 Å²	65	17.8 Å²	17.8	25%	0.245	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-35.9	174.5	-171.3	66.2	-168.5	127.6	7.3	113.2	R828 V832 E833 L834 K855	R828-R830 HydrophobicContact CB-CB 4.27Å; R828-R830 PolarHBondContact O-N 3.43Å; R830-V832 VanDerWaalsContact C-N 3.34Å; R830-E833 IonicContact CZ-OE2 2.98Å; R830-E833 IonicContact NH1-OE2 3.4Å; R830-E833 PolarHBondContact NH1-OE2 3.49Å; R830-E833 PolarHBondContact O-N 2.97Å; R830-L834 WeakPolarHBondContact O-CG 3.41Å; R830-L834 PolarHBondContact O-N 2.02Å; R830-L834 VanDerWaalsContact O-N 3.09Å; R830-K855 WeakPolarHBondContact CB-O 3.46Å; R830-K855 PolarHBondContact N-O 3.27Å
831	D	98.9	Very high	98.5	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-40.3	176	-58	-41.9	0	0	0	110.7	H430 I797 A827 R828 V829 L834 L835	H430-D831 IonicContact CD2-OD1 2.91Å; H430-D831 IonicContact CE1-OD1 3.37Å; H430-D831 IonicContact NE2-OD1 2.87Å; H430-D831 PolarHBondContact NE2-OD1 3.44Å; I797-D831 HydrophobicContact CD1-CB 3.74Å; A827-D831 HydrophobicContact CB-CB 4.33Å; R828-D831 VanDerWaalsContact CB-OD2 3.26Å; R828-D831 WeakPolarHBondContact CB-OD2 3.34Å; R828-D831 WeakPolarHBondContact CG-OD2 3.26Å; R828-D831 IonicContact CZ-OD1 3.89Å; R828-D831 PolarHBondContact N-OD2 2.98Å; R828-D831 IonicContact NE-OD1 3.65Å; R828-D831 PolarHBondContact NE-OD1 3.19Å; R828-D831 VanDerWaalsContact NE-OD1 3.11Å; R828-D831 IonicContact NE-OD2 2.7Å; R828-D831 PolarHBondContact NE-OD2 2.96Å; R828-D831 IonicContact NH2-OD1 3.89Å; R828-D831 PolarHBondContact NH2-OD1 3.36Å; R828-D831 WeakPolarHBondContact O-CB 3.33Å; R828-D831 PolarHBondContact O-N 2.91Å; R828-D831 VanDerWaalsContact O-N 3.09Å; V829-D831 VanDerWaalsContact C-N 3.28Å; V829-D831 PolarHBondContact O-N 3.25Å; D831-L834 PolarHBondContact O-N 2.82Å; D831-L835 WeakPolarHBondContact O-CB 3.46Å; D831-L835 PolarHBondContact O-N 3.38Å; D831-L835 VanDerWaalsContact O-N 3.09Å
832	V	98.9	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-44	174	178.7	0	0	0	0	110.9	F771 V773 A795 I797 R828 V829 R830 L834 L835 T836	F771-V832 HydrophobicContact CB-CG1 3.93Å; F771-V832 HydrophobicContact CB-CG2 4.07Å; F771-V832 HydrophobicContact CD1-CG1 4.08Å; F771-V832 HydrophobicContact CD2-CG1 3.53Å; F771-V832 HydrophobicContact CE1-CG1 4.48Å; F771-V832 HydrophobicContact CE2-CG1 3.99Å; F771-V832 HydrophobicContact CG-CG1 3.58Å; F771-V832 HydrophobicContact CZ-CG1 4.45Å; V773-V832 HydrophobicContact CG2-CB 4.45Å; V773-V832 HydrophobicContact CG2-CG1 4.25Å; V773-V832 HydrophobicContact CG2-CG2 4.12Å; A795-V832 HydrophobicContact CB-CG2 4.26Å; I797-V832 HydrophobicContact CD1-CG2 4.33Å; I797-V832 HydrophobicContact CG1-CG2 4.06Å; R828-V832 PolarHBondContact O-N 3.49Å; V829-V832 WeakPolarHBondContact O-CB 3.38Å; V829-V832 PolarHBondContact O-N 3.45Å; V829-V832 VanDerWaalsContact O-N 3.11Å; R830-V832 VanDerWaalsContact C-N 3.34Å; V832-L834 PolarHBondContact O-N 3.46Å; V832-L835 PolarHBondContact O-N 3.3Å; V832-T836 HydrophobicContact CG1-CG2 4.08Å; V832-T836 VanDerWaalsContact O-CB 3.32Å; V832-T836 WeakPolarHBondContact O-CB 3.39Å; V832-T836 VanDerWaalsContact O-CG2 3.25Å; V832-T836 WeakPolarHBondContact O-CG2 3.26Å; V832-T836 PolarHBondContact O-N 2.82Å; V832-T836 PolarHBondContact O-OG1 3.34Å
833	E	98.9	Very high	98.2	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-42.9	177.8	-68.9	-171.9	153.2	0	0	112.8	V829 R830 G837 L838 L840 K855	V829-E833 HydrophobicContact CG1-CG 4.49Å; V829-E833 WeakPolarHBondContact O-CG 3.5Å; V829-E833 PolarHBondContact O-N 3.29Å; R830-E833 IonicContact CZ-OE2 2.98Å; R830-E833 IonicContact NH1-OE2 3.4Å; R830-E833 PolarHBondContact NH1-OE2 3.49Å; R830-E833 PolarHBondContact O-N 2.97Å; E833-G837 WeakPolarHBondContact O-CA 3.37Å; E833-G837 PolarHBondContact O-N 2.88Å; E833-L838 WeakPolarHBondContact CA-O 3.15Å; E833-L838 WeakPolarHBondContact CB-O 3.41Å; E833-L838 WeakPolarHBondContact CG-O 2.94Å; E833-L840 HydrophobicContact CG-CD1 3.98Å; E833-L840 PolarHBondContact OE1-N 3.28Å; E833-K855 WeakPolarHBondContact OE1-CD 3.37Å; E833-K855 WeakPolarHBondContact OE1-CE 3.36Å; E833-K855 IonicContact OE1-NZ 3.6Å; E833-K855 PolarHBondContact OE1-NZ 3.49Å; E833-K855 IonicContact OE2-NZ 3.5Å
834	L	98.8	Very high	98	Very high	45 Å²	45	25.2 Å²	25.2	24%	0.236	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-46.9	178.2	-69.3	169.8	0	0	0	111.6	G748 V749 R750 R830 D831 V832 T836	G748-L834 WeakPolarHBondContact O-CB 3.35Å; V749-L834 WeakPolarHBondContact CA-O 3.02Å; R750-L834 PolarHBondContact N-O 3.12Å; R830-L834 WeakPolarHBondContact O-CG 3.41Å; R830-L834 PolarHBondContact O-N 2.02Å; R830-L834 VanDerWaalsContact O-N 3.09Å; D831-L834 PolarHBondContact O-N 2.82Å; V832-L834 PolarHBondContact O-N 3.46Å; L834-T836 VanDerWaalsContact C-N 3.33Å; L834-T836 PolarHBondContact O-N 3.2Å
835	L	98.8	Very high	97.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-73.5	-20.3	-177.4	-79.5	164.5	0	0	0	114.4	K427 V741 D743 R750 I797 D831 V832	K427-L835 HydrophobicContact CB-CD1 4.29Å; K427-L835 HydrophobicContact CG-CD1 4.32Å; V741-L835 HydrophobicContact CG1-CB 3.81Å; V741-L835 HydrophobicContact CG1-CD1 4.37Å; V741-L835 HydrophobicContact CG1-CD2 3.89Å; V741-L835 HydrophobicContact CG1-CG 4.26Å; V741-L835 HydrophobicContact CG2-CB 4.48Å; D743-L835 HydrophobicContact CB-CD2 3.59Å; D743-L835 WeakPolarHBondContact OD2-CD2 3.08Å; R750-L835 WeakPolarHBondContact CA-O 3.19Å; R750-L835 WeakPolarHBondContact CB-O 3.26Å; I797-L835 HydrophobicContact CD1-CD1 3.45Å; I797-L835 VanDerWaalsContact CD1-CD1 3.45Å; I797-L835 HydrophobicContact CG1-CD1 4.3Å; I797-L835 HydrophobicContact CG2-CD1 4.16Å; D831-L835 WeakPolarHBondContact O-CB 3.46Å; D831-L835 PolarHBondContact O-N 3.38Å; D831-L835 VanDerWaalsContact O-N 3.09Å; V832-L835 PolarHBondContact O-N 3.3Å
836	T	98.7	Very high	97.5	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.08	15%	0.145	C	C	.	.	H	α-helix	trans	-111.3	-18.6	-176.6	61.5	0	0	0	0	113.3	F609 V741 R750 F771 V832 L834 L838	F609-T836 WeakPolarHBondContact CE1-O 3.21Å; V741-T836 HydrophobicContact CG2-CG2 3.99Å; R750-T836 VanDerWaalsContact CD-O 3.23Å; R750-T836 WeakPolarHBondContact CD-O 3.49Å; F771-T836 HydrophobicContact CD1-CG2 3.6Å; F771-T836 HydrophobicContact CE1-CG2 3.66Å; F771-T836 HydrophobicContact CG-CG2 4.5Å; V832-T836 HydrophobicContact CG1-CG2 4.08Å; V832-T836 VanDerWaalsContact O-CB 3.32Å; V832-T836 WeakPolarHBondContact O-CB 3.39Å; V832-T836 VanDerWaalsContact O-CG2 3.25Å; V832-T836 WeakPolarHBondContact O-CG2 3.26Å; V832-T836 PolarHBondContact O-N 2.82Å; V832-T836 PolarHBondContact O-OG1 3.34Å; L834-T836 VanDerWaalsContact C-N 3.33Å; L834-T836 PolarHBondContact O-N 3.2Å; T836-L838 PolarHBondContact O-N 3.14Å; T836-L838 WeakPolarHBondContact OG1-CB 3.14Å; T836-L838 WeakPolarHBondContact OG1-CG 3.34Å; T836-L838 PolarHBondContact OG1-N 3.08Å
837	G	98.3	Very high	97.4	Very high	14 Å²	14	33.4 Å²	33.4	14%	0.144	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	23.4	-170.2	0	0	0	0	0	113.2	L608 E833	L608-G837 WeakPolarHBondContact CB-O 3Å; L608-G837 PolarHBondContact N-O 3.41Å; E833-G837 WeakPolarHBondContact O-CA 3.37Å; E833-G837 PolarHBondContact O-N 2.88Å
838	L	98.6	Very high	97.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	151.8	175.1	-58.7	175.2	0	0	0	110.6	P605 A606 V607 W634 F771 E833 T836 L840	P605-L838 HydrophobicContact CB-CB 4.4Å; A606-L838 CarbonylContact O-C 3.54Å; A606-L838 VanDerWaalsContact O-CA 3.29Å; A606-L838 WeakPolarHBondContact O-CA 3.23Å; V607-L838 HydrophobicContact CG2-CD2 3.98Å; W634-L838 HydrophobicContact CB-CD1 4.21Å; W634-L838 HydrophobicContact CG-CD1 4.28Å; F771-L838 HydrophobicContact CZ-CD1 4.38Å; E833-L838 WeakPolarHBondContact CA-O 3.15Å; E833-L838 WeakPolarHBondContact CB-O 3.41Å; E833-L838 WeakPolarHBondContact CG-O 2.94Å; T836-L838 PolarHBondContact O-N 3.14Å; T836-L838 WeakPolarHBondContact OG1-CB 3.14Å; T836-L838 WeakPolarHBondContact OG1-CG 3.34Å; T836-L838 PolarHBondContact OG1-N 3.08Å; L838-L840 HydrophobicContact CB-CD1 3.83Å
839	D	98.6	Very high	97.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.011	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.9	168	-179.3	71.6	0	0	0	110.5	P605 A606 L608 R842 K855	P605-D839 WeakPolarHBondContact CA-O 3.48Å; A606-D839 HydrophobicContact CB-CB 4.4Å; A606-D839 PolarHBondContact N-O 3.01Å; A606-D839 PolarHBondContact O-N 3.03Å; L608-D839 HydrophobicContact CD1-CB 4.03Å; L608-D839 HydrophobicContact CD2-CB 4.08Å; L608-D839 HydrophobicContact CG-CB 4.16Å; D839-R842 WeakPolarHBondContact OD2-CD 3.46Å; D839-R842 WeakPolarHBondContact OD2-CG 3.41Å; D839-R842 IonicContact OD2-CZ 2.78Å; D839-R842 IonicContact OD2-NE 3.99Å; D839-R842 IonicContact OD2-NH1 3.4Å; D839-R842 PolarHBondContact OD2-NH1 3.48Å; D839-K855 IonicContact OD1-NZ 2.77Å; D839-K855 PolarHBondContact OD1-NZ 2.94Å; D839-K855 IonicContact OD2-NZ 3.08Å
840	L	98.4	Very high	97.1	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	20%	0.2	C	C	.	.			trans	-98.2	168.3	-172.2	-78.8	69.8	0	0	0	111.9	P605 L737 V773 V829 E833 L838 R842 K855	P605-L840 HydrophobicContact CB-CD1 4.45Å; L737-L840 HydrophobicContact CD2-CD1 4.32Å; L737-L840 HydrophobicContact CD2-CD2 3.45Å; L737-L840 VanDerWaalsContact CD2-CD2 3.45Å; L737-L840 HydrophobicContact CD2-CG 3.82Å; V773-L840 HydrophobicContact CG1-CD2 4.43Å; V773-L840 HydrophobicContact CG2-CD2 4.16Å; V829-L840 HydrophobicContact CG1-CB 4.31Å; V829-L840 HydrophobicContact CG1-CD2 3.79Å; E833-L840 HydrophobicContact CG-CD1 3.98Å; E833-L840 PolarHBondContact OE1-N 3.28Å; L838-L840 HydrophobicContact CB-CD1 3.83Å; L840-R842 VanDerWaalsContact C-N 3.34Å; L840-R842 PolarHBondContact O-N 2.94Å; L840-K855 WeakPolarHBondContact O-CE 3.3Å; L840-K855 PolarHBondContact O-NZ 3.39Å
841	Y	97.2	Very high	97.1	Very high	11 Å²	11	37.7 Å²	37.7	4%	0.043	19%	0.189	C	C	.	.			trans	56.8	39.2	173.8	-50.5	-56.6	0	0	0	114.9	Y602 V773 T775 L791 V829 R843 I851 L854 K855	Y602-Y841 HydrophobicContact CD2-CD1 4.14Å; Y602-Y841 AromaticContact CD2-CE1 3.98Å; Y602-Y841 HydrophobicContact CD2-CE1 3.98Å; Y602-Y841 HydrophobicContact CG-CD1 4.01Å; Y602-Y841 HydrophobicContact CG-CE1 4.31Å; V773-Y841 VanDerWaalsContact CG1-OH 3.28Å; V773-Y841 WeakPolarHBondContact CG1-OH 3.43Å; T775-Y841 HydrophobicContact CG2-CE1 4.08Å; T775-Y841 PolarHBondContact OG1-OH 3.13Å; L791-Y841 HydrophobicContact CD1-CD1 4.35Å; V829-Y841 HydrophobicContact CB-CE2 4.29Å; V829-Y841 HydrophobicContact CG1-CD2 4.47Å; V829-Y841 HydrophobicContact CG1-CE2 3.78Å; V829-Y841 HydrophobicContact CG2-CE2 4.03Å; Y841-R843 VanDerWaalsContact C-N 3.33Å; Y841-R843 PolarHBondContact O-N 3.43Å; Y841-I851 HydrophobicContact CD2-CG2 4.36Å; Y841-I851 HydrophobicContact CG-CG2 4.45Å; Y841-L854 HydrophobicContact CD2-CD2 4.21Å; Y841-L854 HydrophobicContact CE2-CD2 4.04Å; Y841-K855 HydrophobicContact CD2-CG 4Å; Y841-K855 HydrophobicContact CE2-CG 4.38Å
842	R	95.6	Very high	97	Very high	65 Å²	65	38.1 Å²	38.1	25%	0.245	19%	0.191	C	C	.	.			trans	-75.9	-20.8	-176.6	-64.2	-177.8	67	92.4	-4.6	113.8	M536 P537 Y602 D839 L840	M536-R842 HydrophobicContact CE-CB 4.2Å; M536-R842 HydrophobicContact CE-CG 4.45Å; M536-R842 WeakPolarHBondContact CE-O 3.3Å; M536-R842 VanDerWaalsContact CG-NH1 3.31Å; M536-R842 HydrophobicContact SD-CB 3.78Å; M536-R842 HydrophobicContact SD-CG 3.81Å; P537-R842 VanDerWaalsContact O-CZ 3.28Å; P537-R842 PolarHBondContact O-NH1 2.96Å; P537-R842 PolarHBondContact O-NH2 3.2Å; Y602-R842 PolarHBondContact O-N 3.46Å; D839-R842 WeakPolarHBondContact OD2-CD 3.46Å; D839-R842 WeakPolarHBondContact OD2-CG 3.41Å; D839-R842 IonicContact OD2-CZ 2.78Å; D839-R842 IonicContact OD2-NE 3.99Å; D839-R842 IonicContact OD2-NH1 3.4Å; D839-R842 PolarHBondContact OD2-NH1 3.48Å; L840-R842 VanDerWaalsContact C-N 3.34Å; L840-R842 PolarHBondContact O-N 2.94Å
843	R	93.8	Very high	97	Very high	199 Å²	199	39.4 Å²	39.4	75%	0.751	20%	0.201	S	C	*	.	S	Bend	trans	-125.6	94.3	179.5	-170.9	179.8	-178.6	-176.2	-0.6	109.3	Y602 Y841	Y602-R843 CarbonylContact C-O 3.58Å; Y602-R843 VanDerWaalsContact CA-O 3.26Å; Y602-R843 WeakPolarHBondContact CA-O 3.02Å; Y602-R843 PolarHBondContact O-N 2.97Å; Y602-R843 VanDerWaalsContact O-N 3.08Å; Y841-R843 VanDerWaalsContact C-N 3.33Å; Y841-R843 PolarHBondContact O-N 3.43Å
844	T	93.6	Very high	97	Very high	43 Å²	43	40.1 Å²	40.1	26%	0.264	20%	0.204	S	C	.	.			trans	-139	166.5	176.4	76.8	0	0	0	0	109.8	L791 R846 I851	L791-T844 HydrophobicContact CD1-CG2 4.43Å; T844-R846 PolarHBondContact OG1-N 2.68Å; T844-I851 HydrophobicContact CG2-CD1 3.87Å; T844-I851 HydrophobicContact CG2-CG1 4.46Å; T844-I851 WeakPolarHBondContact OG1-CD1 3.11Å
845	S	92.6	Very high	97	Very high	92 Å²	92	38 Å²	38	64%	0.643	19%	0.193	S	C	*	.	S	Bend	trans	-80.8	-0.3	171.1	58.5	0	0	0	0	113.3
846	R	94.6	Very high	97	Very high	72 Å²	72	38.5 Å²	38.5	27%	0.272	20%	0.197	S	C	.	.	S	Bend	trans	-92.9	155.6	-175.8	-52.6	-48.5	-58.1	-175.8	-2.7	111.1	T844 E850 I851	T844-R846 PolarHBondContact OG1-N 2.68Å; R846-E850 HydrophobicContact CB-CB 4.33Å; R846-E850 IonicContact CZ-OE1 3.57Å; R846-E850 IonicContact CZ-OE2 3.46Å; R846-E850 IonicContact NE-OE1 2.87Å; R846-E850 IonicContact NE-OE2 3.5Å; R846-E850 PolarHBondContact NE-OE2 3.39Å; R846-E850 IonicContact NH2-OE1 2.98Å; R846-E850 PolarHBondContact NH2-OE1 2.99Å; R846-E850 IonicContact NH2-OE2 3.63Å; R846-I851 HydrophobicContact CB-CD1 3.9Å; R846-I851 HydrophobicContact CB-CG1 4.1Å; R846-I851 HydrophobicContact CG-CD1 4.27Å
847	S	95.4	Very high	96.9	Very high	60 Å²	60	42.2 Å²	42.2	42%	0.42	21%	0.21	S	C	.	.			trans	-65.6	151.6	171.3	68.3	0	0	0	0	110.7	S849 E850 I851	S847-S849 VanDerWaalsContact C-N 3.28Å; S847-S849 PolarHBondContact O-N 3.34Å; S847-E850 PolarHBondContact N-OE2 3.12Å; S847-E850 WeakPolarHBondContact O-CB 2.99Å; S847-E850 PolarHBondContact O-N 3.26Å; S847-E850 VanDerWaalsContact O-N 3.09Å; S847-E850 VanDerWaalsContact OG-CD 3.3Å; S847-E850 WeakPolarHBondContact OG-CG 3.39Å; S847-E850 PolarHBondContact OG-N 3.43Å; S847-E850 PolarHBondContact OG-OE2 2.86Å; S847-I851 PolarHBondContact O-N 3.17Å; S847-I851 VanDerWaalsContact O-N 3.1Å
848	Y	97.1	Very high	96.9	Very high	45 Å²	45	41.7 Å²	41.7	18%	0.176	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-35	-178	-171.3	-135	0	0	0	112.5	P534 T535 M536 P537 E850 I851 L852	P534-Y848 HydrophobicContact CB-CD1 3.67Å; P534-Y848 HydrophobicContact CB-CE1 3.84Å; P534-Y848 HydrophobicContact CG-CD1 3.89Å; T535-Y848 VanDerWaalsContact C-CE1 3.44Å; T535-Y848 WeakPolarHBondContact O-CE1 3.3Å; M536-Y848 HydrophobicContact CB-CE1 4.29Å; M536-Y848 HydrophobicContact CE-CD2 4.04Å; M536-Y848 HydrophobicContact CE-CE2 4.15Å; M536-Y848 HydrophobicContact CG-CE2 4.44Å; P537-Y848 WeakPolarHBondContact CD-OH 3.37Å; Y848-E850 VanDerWaalsContact C-N 3.33Å; Y848-E850 PolarHBondContact O-N 2.76Å; Y848-I851 HydrophobicContact CD2-CB 4.28Å; Y848-I851 HydrophobicContact CD2-CG2 4.37Å; Y848-I851 HydrophobicContact CE2-CG2 4.48Å; Y848-I851 CarbonylContact O-C 3.57Å; Y848-I851 WeakPolarHBondContact O-CA 3.31Å; Y848-I851 WeakPolarHBondContact O-CB 3.39Å; Y848-I851 PolarHBondContact O-N 3.15Å; Y848-I851 VanDerWaalsContact O-N 3.11Å; Y848-L852 HydrophobicContact CE1-CD1 4.29Å; Y848-L852 HydrophobicContact CE1-CD2 4.2Å; Y848-L852 HydrophobicContact CE1-CG 4.33Å; Y848-L852 HydrophobicContact CE2-CD2 3.95Å; Y848-L852 HydrophobicContact CE2-CG 4.36Å; Y848-L852 WeakPolarHBondContact O-CG 3.45Å; Y848-L852 PolarHBondContact O-N 3.05Å
849	S	96.8	Very high	96.7	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-38.9	173.5	-53.9	0	0	0	0	112.8	N524 S847 I851 L852 S853	N524-S849 PolarHBondContact ND2-OG 3.17Å; S847-S849 VanDerWaalsContact C-N 3.28Å; S847-S849 PolarHBondContact O-N 3.34Å; S849-I851 VanDerWaalsContact C-N 3.34Å; S849-L852 PolarHBondContact O-N 3.39Å; S849-S853 PolarHBondContact O-N 3.46Å
850	E	96.3	Very high	96.5	Very high	80 Å²	80	45.1 Å²	45.1	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-37.3	174.3	-71.2	169.5	123.7	0	0	111.6	R846 S847 Y848 S853 L854	R846-E850 HydrophobicContact CB-CB 4.33Å; R846-E850 IonicContact CZ-OE1 3.57Å; R846-E850 IonicContact CZ-OE2 3.46Å; R846-E850 IonicContact NE-OE1 2.87Å; R846-E850 IonicContact NE-OE2 3.5Å; R846-E850 PolarHBondContact NE-OE2 3.39Å; R846-E850 IonicContact NH2-OE1 2.98Å; R846-E850 PolarHBondContact NH2-OE1 2.99Å; R846-E850 IonicContact NH2-OE2 3.63Å; S847-E850 PolarHBondContact N-OE2 3.12Å; S847-E850 WeakPolarHBondContact O-CB 2.99Å; S847-E850 PolarHBondContact O-N 3.26Å; S847-E850 VanDerWaalsContact O-N 3.09Å; S847-E850 VanDerWaalsContact OG-CD 3.3Å; S847-E850 WeakPolarHBondContact OG-CG 3.39Å; S847-E850 PolarHBondContact OG-N 3.43Å; S847-E850 PolarHBondContact OG-OE2 2.86Å; Y848-E850 VanDerWaalsContact C-N 3.33Å; Y848-E850 PolarHBondContact O-N 2.76Å; E850-S853 WeakPolarHBondContact O-CB 3.42Å; E850-S853 PolarHBondContact O-N 3.45Å; E850-L854 WeakPolarHBondContact O-CB 3.15Å; E850-L854 PolarHBondContact O-N 3.43Å
851	I	98.3	Very high	96.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-39	173.9	-65.8	-55.1	0	0	0	111.4	Y841 T844 R846 S847 Y848 S849 L854 K855	Y841-I851 HydrophobicContact CD2-CG2 4.36Å; Y841-I851 HydrophobicContact CG-CG2 4.45Å; T844-I851 HydrophobicContact CG2-CD1 3.87Å; T844-I851 HydrophobicContact CG2-CG1 4.46Å; T844-I851 WeakPolarHBondContact OG1-CD1 3.11Å; R846-I851 HydrophobicContact CB-CD1 3.9Å; R846-I851 HydrophobicContact CB-CG1 4.1Å; R846-I851 HydrophobicContact CG-CD1 4.27Å; S847-I851 PolarHBondContact O-N 3.17Å; S847-I851 VanDerWaalsContact O-N 3.1Å; Y848-I851 HydrophobicContact CD2-CB 4.28Å; Y848-I851 HydrophobicContact CD2-CG2 4.37Å; Y848-I851 HydrophobicContact CE2-CG2 4.48Å; Y848-I851 CarbonylContact O-C 3.57Å; Y848-I851 WeakPolarHBondContact O-CA 3.31Å; Y848-I851 WeakPolarHBondContact O-CB 3.39Å; Y848-I851 PolarHBondContact O-N 3.15Å; Y848-I851 VanDerWaalsContact O-N 3.11Å; S849-I851 VanDerWaalsContact C-N 3.34Å; I851-L854 HydrophobicContact CD1-CD2 4.29Å; I851-L854 WeakPolarHBondContact O-CB 3.5Å; I851-L854 PolarHBondContact O-N 3.34Å; I851-K855 HydrophobicContact CG2-CD 4.21Å; I851-K855 HydrophobicContact CG2-CG 4.41Å; I851-K855 WeakPolarHBondContact O-CB 3.11Å; I851-K855 VanDerWaalsContact O-CG 3.27Å; I851-K855 WeakPolarHBondContact O-CG 3.35Å; I851-K855 PolarHBondContact O-N 3.45Å
852	L	98.6	Very high	96.1	Very high	9 Å²	9	49.1 Å²	49.1	5%	0.047	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-44	172.9	-65.7	-177	0	0	0	111.4	T519 H520 P534 Y848 S849 L854 K855 T856	T519-L852 HydrophobicContact CG2-CB 4.15Å; T519-L852 HydrophobicContact CG2-CD1 4.26Å; T519-L852 HydrophobicContact CG2-CD2 3.78Å; T519-L852 HydrophobicContact CG2-CG 4.28Å; H520-L852 WeakPolarHBondContact O-CD1 3.41Å; P534-L852 HydrophobicContact CB-CD1 3.5Å; P534-L852 HydrophobicContact CG-CD1 3.82Å; Y848-L852 HydrophobicContact CE1-CD1 4.29Å; Y848-L852 HydrophobicContact CE1-CD2 4.2Å; Y848-L852 HydrophobicContact CE1-CG 4.33Å; Y848-L852 HydrophobicContact CE2-CD2 3.95Å; Y848-L852 HydrophobicContact CE2-CG 4.36Å; Y848-L852 WeakPolarHBondContact O-CG 3.45Å; Y848-L852 PolarHBondContact O-N 3.05Å; S849-L852 PolarHBondContact O-N 3.39Å; L852-L854 VanDerWaalsContact C-N 3.31Å; L852-L854 PolarHBondContact O-N 2.86Å; L852-K855 HydrophobicContact CD2-CD 4.4Å; L852-K855 PolarHBondContact O-N 2.97Å; L852-K855 VanDerWaalsContact O-N 3.14Å; L852-T856 PolarHBondContact O-N 2.69Å; L852-T856 PolarHBondContact O-OG1 3.01Å
853	S	97.9	Very high	95.3	Very high	28 Å²	28	50.2 Å²	50.2	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-42.5	174.2	-174.2	0	0	0	0	112	S849 E850 T856 Y857	S849-S853 PolarHBondContact O-N 3.46Å; E850-S853 WeakPolarHBondContact O-CB 3.42Å; E850-S853 PolarHBondContact O-N 3.45Å; S853-T856 PolarHBondContact O-N 3.49Å; S853-T856 PolarHBondContact O-OG1 2.92Å; S853-Y857 PolarHBondContact O-N 2.95Å; S853-Y857 VanDerWaalsContact O-N 3.11Å
854	L	98	Very high	94.1	Very high	20 Å²	20	49.9 Å²	49.9	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-42.7	174.6	179.9	71.6	0	0	0	111.2	L791 S793 Y841 E850 I851 L852 T856 Y857	L791-L854 HydrophobicContact CB-CD1 4.4Å; L791-L854 HydrophobicContact CB-CD2 3.78Å; L791-L854 HydrophobicContact CD1-CD2 3.99Å; L791-L854 HydrophobicContact CG-CD2 4.4Å; L791-L854 WeakPolarHBondContact O-CD1 3.49Å; S793-L854 WeakPolarHBondContact OG-CD1 3.49Å; Y841-L854 HydrophobicContact CD2-CD2 4.21Å; Y841-L854 HydrophobicContact CE2-CD2 4.04Å; E850-L854 WeakPolarHBondContact O-CB 3.15Å; E850-L854 PolarHBondContact O-N 3.43Å; I851-L854 HydrophobicContact CD1-CD2 4.29Å; I851-L854 WeakPolarHBondContact O-CB 3.5Å; I851-L854 PolarHBondContact O-N 3.34Å; L852-L854 VanDerWaalsContact C-N 3.31Å; L852-L854 PolarHBondContact O-N 2.86Å; L854-T856 VanDerWaalsContact C-N 3.28Å; L854-T856 PolarHBondContact O-N 2.91Å; L854-Y857 WeakPolarHBondContact O-CB 3.39Å; L854-Y857 PolarHBondContact O-N 3.25Å
855	K	98.8	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.4	-34.2	179.7	-74	174.7	179.5	-162.3	0	112.7	V829 R830 E833 D839 L840 Y841 I851 L852	V829-K855 HydrophobicContact CB-CB 4.48Å; V829-K855 HydrophobicContact CB-CG 4.45Å; V829-K855 HydrophobicContact CG1-CG 4.21Å; V829-K855 PolarHBondContact N-O 3.18Å; R830-K855 WeakPolarHBondContact CB-O 3.46Å; R830-K855 PolarHBondContact N-O 3.27Å; E833-K855 WeakPolarHBondContact OE1-CD 3.37Å; E833-K855 WeakPolarHBondContact OE1-CE 3.36Å; E833-K855 IonicContact OE1-NZ 3.6Å; E833-K855 PolarHBondContact OE1-NZ 3.49Å; E833-K855 IonicContact OE2-NZ 3.5Å; D839-K855 IonicContact OD1-NZ 2.77Å; D839-K855 PolarHBondContact OD1-NZ 2.94Å; D839-K855 IonicContact OD2-NZ 3.08Å; L840-K855 WeakPolarHBondContact O-CE 3.3Å; L840-K855 PolarHBondContact O-NZ 3.39Å; Y841-K855 HydrophobicContact CD2-CG 4Å; Y841-K855 HydrophobicContact CE2-CG 4.38Å; I851-K855 HydrophobicContact CG2-CD 4.21Å; I851-K855 HydrophobicContact CG2-CG 4.41Å; I851-K855 WeakPolarHBondContact O-CB 3.11Å; I851-K855 VanDerWaalsContact O-CG 3.27Å; I851-K855 WeakPolarHBondContact O-CG 3.35Å; I851-K855 PolarHBondContact O-N 3.45Å; L852-K855 HydrophobicContact CD2-CD 4.4Å; L852-K855 PolarHBondContact O-N 2.97Å; L852-K855 VanDerWaalsContact O-N 3.14Å
856	T	98.7	Very high	92.8	Very high	14 Å²	14	48.2 Å²	48.2	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-84.5	-11.3	177.2	55.7	0	0	0	0	114.3	T519 R828 L852 S853 L854	T519-T856 HydrophobicContact CG2-CG2 4.31Å; R828-T856 WeakPolarHBondContact CD-O 3.39Å; L852-T856 PolarHBondContact O-N 2.69Å; L852-T856 PolarHBondContact O-OG1 3.01Å; S853-T856 PolarHBondContact O-N 3.49Å; S853-T856 PolarHBondContact O-OG1 2.92Å; L854-T856 VanDerWaalsContact C-N 3.28Å; L854-T856 PolarHBondContact O-N 2.91Å
857	Y	97.7	Very high	92.7	Very high	90 Å²	90	46.9 Å²	46.9	35%	0.353	24%	0.241	S	C	.	.			trans	-65	137.2	176.4	172.7	-99.9	0	0	0	110.4	S793 S853 L854 H859	S793-Y857 WeakPolarHBondContact O-CD1 3.44Å; S793-Y857 WeakPolarHBondContact O-CE1 3.42Å; S853-Y857 PolarHBondContact O-N 2.95Å; S853-Y857 VanDerWaalsContact O-N 3.11Å; L854-Y857 WeakPolarHBondContact O-CB 3.39Å; L854-Y857 PolarHBondContact O-N 3.25Å; Y857-H859 HydrophobicContact CE1-CB 3.96Å; Y857-H859 PolarHBondContact OH-ND1 3.31Å
858	M	97.3	Very high	92.6	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	23%	0.231	C	C	.	.			trans	-123.7	123.3	174.4	-167	178.3	75.7	0	0	109.1	R428 K472 T826 R828 T860	R428-M858 HydrophobicContact CB-SD 4.04Å; R428-M858 HydrophobicContact CG-SD 4.48Å; K472-M858 HydrophobicContact CB-CE 4.01Å; T826-M858 HydrophobicContact CG2-CG 4.4Å; T826-M858 HydrophobicContact CG2-SD 4.46Å; R828-M858 HydrophobicContact CG-CB 3.82Å; R828-M858 HydrophobicContact CG-CG 4.25Å; M858-T860 HydrophobicContact CE-CG2 3.91Å; M858-T860 PolarHBondContact O-N 3.23Å
859	H	96.3	Very high	92.3	Very high	63 Å²	63	46.3 Å²	46.3	29%	0.292	23%	0.234	S	C	.	.			trans	-79.8	111.6	173	-163.1	85.7	0	0	0	109.4	A794 T826 Y857 Y861	A794-H859 HydrophobicContact CB-CB 4.3Å; T826-H859 WeakPolarHBondContact CG2-O 3.35Å; T826-H859 PolarHBondContact OG1-O 3.3Å; Y857-H859 HydrophobicContact CE1-CB 3.96Å; Y857-H859 PolarHBondContact OH-ND1 3.31Å; H859-Y861 HydrophobicContact CB-CE2 4.44Å; H859-Y861 AromaticContact CD2-CD1 3.49Å; H859-Y861 VanDerWaalsContact CD2-CD1 3.49Å; H859-Y861 WeakPolarHBondContact CD2-CD1 3.14Å; H859-Y861 AromaticContact CD2-CD2 3.72Å; H859-Y861 AromaticContact CD2-CE1 3.29Å; H859-Y861 WeakPolarHBondContact CD2-CE1 3.46Å; H859-Y861 AromaticContact CD2-CE2 3.53Å; H859-Y861 AromaticContact CD2-CG 3.69Å; H859-Y861 AromaticContact CD2-CZ 3.29Å; H859-Y861 AromaticContact NE2-CD1 3.62Å; H859-Y861 AromaticContact NE2-CE1 3.56Å; H859-Y861 WeakPolarHBondContact O-CD2 3.3Å
860	T	94.3	Very high	92	Very high	13 Å²	13	47.3 Å²	47.3	8%	0.08	24%	0.236	C	C	.	.			trans	-86.6	-19.4	-168.2	58.9	0	0	0	0	114.4	K472 M858 E862	K472-T860 HydrophobicContact CB-CG2 4.45Å; K472-T860 PolarHBondContact NZ-O 2.94Å; M858-T860 HydrophobicContact CE-CG2 3.91Å; M858-T860 PolarHBondContact O-N 3.23Å; T860-E862 PolarHBondContact O-N 2.96Å; T860-E862 VanDerWaalsContact O-N 3.16Å; T860-E862 PolarHBondContact OG1-N 3.37Å
861	Y	94.9	Very high	91.8	Very high	63 Å²	63	45.1 Å²	45.1	25%	0.247	23%	0.226	C	C	.	.			trans	55.7	20.7	-171.1	-57.7	-84.5	0	0	0	114.2	F796 K823 H859	F796-Y861 AromaticContact CE1-CE2 3.92Å; F796-Y861 HydrophobicContact CE1-CE2 3.92Å; F796-Y861 HydrophobicContact CZ-CE2 4.34Å; F796-Y861 AromaticContact CZ-CZ 3.99Å; F796-Y861 WeakPolarHBondContact CZ-OH 3.36Å; K823-Y861 HydrophobicContact CB-CD2 3.94Å; K823-Y861 HydrophobicContact CB-CE2 4.48Å; K823-Y861 HydrophobicContact CB-CG 4.13Å; K823-Y861 HydrophobicContact CD-CD1 4.14Å; K823-Y861 HydrophobicContact CD-CG 4.09Å; K823-Y861 HydrophobicContact CG-CD1 3.82Å; K823-Y861 HydrophobicContact CG-CD2 3.73Å; K823-Y861 HydrophobicContact CG-CE1 4.18Å; K823-Y861 HydrophobicContact CG-CE2 4.1Å; K823-Y861 HydrophobicContact CG-CG 3.6Å; H859-Y861 HydrophobicContact CB-CE2 4.44Å; H859-Y861 AromaticContact CD2-CD1 3.49Å; H859-Y861 VanDerWaalsContact CD2-CD1 3.49Å; H859-Y861 WeakPolarHBondContact CD2-CD1 3.14Å; H859-Y861 AromaticContact CD2-CD2 3.72Å; H859-Y861 AromaticContact CD2-CE1 3.29Å; H859-Y861 WeakPolarHBondContact CD2-CE1 3.46Å; H859-Y861 AromaticContact CD2-CE2 3.53Å; H859-Y861 AromaticContact CD2-CG 3.69Å; H859-Y861 AromaticContact CD2-CZ 3.29Å; H859-Y861 AromaticContact NE2-CD1 3.62Å; H859-Y861 AromaticContact NE2-CE1 3.56Å; H859-Y861 WeakPolarHBondContact O-CD2 3.3Å
862	E	91.9	Very high	91.3	Very high	38 Å²	38	48.1 Å²	48.1	18%	0.178	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-91.6	157	167.9	-61.4	-76.5	127.8	0	0	109.7	R446 K472 N474 T860	R446-E862 IonicContact CZ-OE2 2.86Å; R446-E862 VanDerWaalsContact CZ-OE2 3.29Å; R446-E862 IonicContact NH1-OE2 3.72Å; R446-E862 PolarHBondContact NH1-OE2 3.2Å; R446-E862 IonicContact NH2-OE1 3.25Å; R446-E862 PolarHBondContact NH2-OE1 3.47Å; R446-E862 IonicContact NH2-OE2 2.8Å; R446-E862 PolarHBondContact NH2-OE2 3.03Å; K472-E862 IonicContact NZ-OE1 2.86Å; K472-E862 PolarHBondContact NZ-OE1 3.4Å; K472-E862 WeakPolarHBondContact O-CG 3.49Å; N474-E862 VanDerWaalsContact OD1-CB 3.24Å; N474-E862 WeakPolarHBondContact OD1-CB 3.4Å; T860-E862 PolarHBondContact O-N 2.96Å; T860-E862 VanDerWaalsContact O-N 3.16Å; T860-E862 PolarHBondContact OG1-N 3.37Å
863	S	79.4	Confident	90.7	Very high	89 Å²	89	51.1 Å²	51.1	62%	0.622	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-63.4	160.4	171.1	65.5	0	0	0	0	111.2	N474	N474-S863 PolarHBondContact ND2-O 3.04Å; N474-S863 PolarHBondContact ND2-OG 3.01Å; N474-S863 PolarHBondContact OD1-O 2.93Å
864	E	68.1	Low	90.1	Very high	191 Å²	191	53 Å²	53	89%	0.893	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-60.8	146.3	170.6	-64.8	-166.5	160.8	0	0	111.3
865	I	66.6	Low	89.4	Confident	52 Å²	52	56 Å²	56	27%	0.267	28%	0.276	S	S	.	.			trans	-82.3	0	-170.8	-65.8	-179.7	0	0	0	112.5	A172 K176 Y197 N474 Q477	A172-I865 HydrophobicContact CB-CG2 4.39Å; K176-I865 VanDerWaalsContact CE-O 3.22Å; K176-I865 WeakPolarHBondContact CE-O 3.45Å; K176-I865 WeakPolarHBondContact CE-OXT 3.34Å; K176-I865 PolarHBondContact NZ-O 3.36Å; K176-I865 PolarHBondContact NZ-OXT 3.38Å; Y197-I865 HydrophobicContact CD1-CB 4.46Å; Y197-I865 HydrophobicContact CD1-CD1 3.46Å; Y197-I865 VanDerWaalsContact CD1-CD1 3.46Å; Y197-I865 HydrophobicContact CD1-CG1 4.19Å; Y197-I865 HydrophobicContact CD2-CD1 4.22Å; Y197-I865 HydrophobicContact CE1-CD1 3.86Å; Y197-I865 HydrophobicContact CE1-CG1 4.35Å; Y197-I865 HydrophobicContact CG-CD1 3.67Å; N474-I865 HydrophobicContact CB-CD1 4.27Å; N474-I865 HydrophobicContact CB-CG1 3.96Å; N474-I865 WeakPolarHBondContact OD1-CG1 3.36Å; Q477-I865 HydrophobicContact CB-CD1 3.65Å; Q477-I865 HydrophobicContact CG-CD1 3.34Å

Retrieved 865 of 865 residues in 783.6 ms (Link to these results)

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